UCSF

ZINC08845169

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 Yes

Popular Name: 8-(5-chloro-2-hydroxy-4-methyl-phenyl)-2-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-3,6,7-triazab 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) 5.75 10.81 -13.44 2 6 0 78 491.95 6 ↓
Hi High (pH 8-9.5) 5.73 10.76 -47.03 0 6 -1 77 490.942 6 ↓
Hi High (pH 8-9.5) 5.73 10.67 -51.65 0 6 -1 77 490.942 6 ↓
Hi High (pH 8-9.5) 5.75 11.53 -45.31 1 6 -1 81 490.942 6 ↓
Mid Mid (pH 6-8) 5.75 11.89 -51.36 1 6 -1 81 490.942 6 ↓

Activity (Go SEA)

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