UCSF

ZINC05342762

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 26 Yes

Popular Name: 2-(3-chlorophenyl)-3-(2-hydroxyethyl)-8-(2-hydroxyphenyl)-3,6,7-triazabicyclo[3.3.0]octa-7,9-dien-4- 2-(3-chlorophenyl)-3-(2-hydroxye…

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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) 2.77 3.96 -10.22 3 6 0 89 369.808 4 ↓
Hi High (pH 8-9.5) 2.74 4.34 -46.22 1 6 -1 88 368.8 4 ↓
Hi High (pH 8-9.5) 2.74 3.91 -57.04 1 6 -1 88 368.8 4 ↓
Hi High (pH 8-9.5) 2.77 4.69 -39.73 2 6 -1 92 368.8 4 ↓
Mid Mid (pH 6-8) 2.77 4.73 -49.96 2 6 -1 92 368.8 4 ↓

Activity (Go SEA)

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