UCSF

ZINC19701767

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Chlortetracycline hydrochloride Chlortetracycline hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 64-72-2 , [64-72-2]

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) -0.06 0.04 -53.12 7 10 0 186 478.885 2 ↓
Hi High (pH 8-9.5) 0.39 -0.18 -213.49 4 10 -3 190 475.861 2 ↓
Hi High (pH 8-9.5) -0.06 2.07 -199.65 5 10 -2 191 476.869 2 ↓
Hi High (pH 8-9.5) -0.64 0.35 -97.97 4 10 0 184 476.869 2 ↓
Hi High (pH 8-9.5) -0.79 -1.16 -60 6 10 -1 184 477.877 1 ↓
Hi High (pH 8-9.5) -0.06 -1.28 -111.26 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) -0.64 1.28 -71.13 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) 0.39 -1.17 -114.98 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) 0.39 1.14 -114.75 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) 0.39 -0.96 -123.82 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) -0.64 2.28 -87.89 5 10 0 185 477.877 2 ↓
Mid Mid (pH 6-8) -0.79 0.42 -65.34 7 10 0 186 478.885 1 ↓
Mid Mid (pH 6-8) -0.06 -2.27 -52.49 6 10 -1 184 477.877 2 ↓
Lo Low (pH 4.5-6) -0.64 -1.16 -49.42 7 10 0 180 479.893 2 ↓
Lo Low (pH 4.5-6) -0.79 -0.72 -44.32 8 10 1 183 479.893 1 ↓
Lo Low (pH 4.5-6) -0.79 -2.16 -16.9 7 10 0 182 478.885 1 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )