UCSF

ZINC08845384

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 Yes

Popular Name: 8-(5-chloro-2-hydroxy-4-methyl-phenyl)-3-[(4-fluorophenyl)methyl]-2-(3-hydroxyphenyl)-3,6,7-triazabi 8-(5-chloro-2-hydroxy-4-methyl-p…

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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) 4.83 7.2 -13.5 3 6 0 89 463.896 4 ↓
Ref Reference (pH 7) 4.83 7.25 -11.36 3 6 0 89 463.896 4 ↓
Hi High (pH 8-9.5) 4.81 8.07 -49.83 1 6 -1 88 462.888 4 ↓
Hi High (pH 8-9.5) 4.81 8.01 -47.07 1 6 -1 88 462.888 4 ↓
Hi High (pH 8-9.5) 4.83 8.1 -32.8 2 6 -1 92 462.888 4 ↓
Mid Mid (pH 6-8) 4.83 8.02 -46.3 2 6 -1 92 462.888 4 ↓

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