UCSF

ZINC38337186

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 33 No

Popular Name: Oxytetracycline Oxytetracycline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6153-64-6 , 6153-64-6, 79-57-2 [anhyd , 79-57-2

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) -2.19 -3.03 -25.52 6 11 0 202 459.431 2 ↓
Ref Reference (pH 7) -2.92 -1.71 -57.11 7 11 0 203 460.439 1 ↓
Hi High (pH 8-9.5) -2.19 -1.52 -208 4 11 -3 207 457.415 2 ↓
Hi High (pH 8-9.5) -2.19 0.16 -145.2 5 11 -2 208 458.423 2 ↓
Mid Mid (pH 6-8) -2.92 -3.3 -72.15 6 11 -1 202 459.431 1 ↓
Mid Mid (pH 6-8) -2.19 -1.43 -63.64 7 11 0 203 460.439 2 ↓
Mid Mid (pH 6-8) -2.92 -3.3 -78.93 6 11 -1 202 459.431 1 ↓
Lo Low (pH 4.5-6) -2.19 -1.55 -52.53 7 11 0 203 460.439 2 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial SMDC Iconix
PUBCHEM_PATENT_ID EP0000809A1; EP0002309A2; EP0002892A1; EP0006298A1; EP0013107A1; EP0013768A1; EP0019411A1; EP0022173A1; EP0025495A1; EP0025698A2; EP0027258A1; EP0034347A2; EP0037488A2; EP0038013A2; EP0040932A1; EP0043479A1; EP0053890A1; EP0056992A1; EP0064040A1; EP006484 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : O-9280; NCC_SUPPLIER_SAMPLE_COMMENTS : YELLOW POWDER; 1 hydrogen chloride NIH Clinical Collection via PubChem
Target NULL Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: O-9280; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: YELLOW POWDER NIH Clinical Collection via PubChem

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