UCSF

ZINC05343029

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Substance Information

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

Popular Name: 2-(4-chlorophenyl)-3-(2-hydroxyethyl)-8-(2-hydroxyphenyl)-3,6,7-triazabicyclo[3.3.0]octa-7,9-dien-4- 2-(4-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) 2.79 3.97 -11.38 3 6 0 89 369.808 4 ↓
Hi High (pH 8-9.5) 2.77 4.35 -45.83 1 6 -1 88 368.8 4 ↓
Hi High (pH 8-9.5) 2.77 3.91 -59.69 1 6 -1 88 368.8 4 ↓
Hi High (pH 8-9.5) 2.79 4.69 -39.9 2 6 -1 92 368.8 4 ↓
Mid Mid (pH 6-8) 2.79 4.74 -51.49 2 6 -1 92 368.8 4 ↓

Activity (Go SEA)

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