UCSF

ZINC19701769

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 33 No

Popular Name: Chlortetracycline Chlortetracycline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57-62-5 , 64-72-2 , [57-62-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.26 -3.99 -50.32 6 10 -1 185 477.877 2 ↓
Ref Reference (pH 7) -0.06 -0.42 -53.8 7 10 0 186 478.885 2 ↓
Hi High (pH 8-9.5) 0.26 -3 -106.41 5 10 -2 188 476.869 2 ↓
Hi High (pH 8-9.5) 0.39 -0.11 -211.05 4 10 -3 190 475.861 2 ↓
Hi High (pH 8-9.5) -0.79 -1.8 -62.77 6 10 -1 184 477.877 1 ↓
Hi High (pH 8-9.5) -0.64 0.99 -96.78 4 10 0 184 476.869 2 ↓
Hi High (pH 8-9.5) -0.06 -0.3 -234.59 4 10 -3 190 475.861 2 ↓
Hi High (pH 8-9.5) -0.79 -1.86 -62.08 6 10 -1 184 477.877 1 ↓
Hi High (pH 8-9.5) -0.06 -1.4 -107.6 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) 0.26 -2.21 -44.89 7 10 0 187 478.885 2 ↓
Mid Mid (pH 6-8) -0.64 1.68 -60.37 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) 0.39 -1.11 -118.72 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) -0.06 -2.4 -56.76 6 10 -1 184 477.877 2 ↓
Mid Mid (pH 6-8) 0.39 -1.3 -136.47 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) 0.39 0.84 -116.1 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) -0.06 0.87 -116.79 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) -0.79 -0.19 -66 7 10 0 186 478.885 1 ↓
Mid Mid (pH 6-8) -0.79 -1.25 -45.79 8 10 1 183 479.893 1 ↓
Mid Mid (pH 6-8) -0.06 -1.3 -139.42 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) -0.64 2.68 -73.08 5 10 0 185 477.877 2 ↓
Lo Low (pH 4.5-6) -0.79 -1.12 -42.73 8 10 1 183 479.893 1 ↓
Lo Low (pH 4.5-6) -0.79 -2.79 -18.25 7 10 0 182 478.885 1 ↓
Lo Low (pH 4.5-6) -0.79 -2.85 -17.22 7 10 0 182 478.885 1 ↓
Lo Low (pH 4.5-6) -0.64 -1.01 -41.1 7 10 0 180 479.893 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 220 Acros Organics
therap antibacterial, antiamebic, Ca chelator, hepatotoxic; inhibits protein synthesis MicroSource Spectrum
Therapy antibacterial, inhibits protein synthesis, Ca chelator SMDC MicroSource
PUBCHEM_PATENT_ID EP0017908A1; EP0025495A1; EP0025698A2; EP0026599A1; EP0027258A1; EP0034347A2; EP0041764A1; EP0042713A2; EP0044190A1; EP0046004A1; EP0046645A2; EP0053890A1; EP0056992A1; EP0064040A1; EP0065884A1; EP0069385A2; EP0070570A2; EP0076068A2; EP0077680A2; EP007774 IBM Patent Data
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H361d: Suspected of damaging the unborn child Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and ea Acros Organics
R phrase R36: Irritating to eyes. Acros Organics
R phrase R36: Irritating to eyes.; R63: Possible risk of harm to the unborn child. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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