UCSF

ZINC06752907

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 Yes

Popular Name: 2-(2-hydroxyphenyl)-7-(3-hydroxypropyl)-8-(4-methylsulfanylphenyl)-3,4,7-triazabicyclo[3.3.0]octa-2, 2-(2-hydroxyphenyl)-7-(3-hydroxy…

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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) 2.82 4.64 -16.84 3 6 0 89 395.484 6 ↓
Hi High (pH 8-9.5) 2.79 5.25 -62.67 1 6 -1 88 394.476 6 ↓
Hi High (pH 8-9.5) 2.79 5.04 -53.57 1 6 -1 88 394.476 6 ↓
Hi High (pH 8-9.5) 2.82 5.58 -44.9 2 6 -1 92 394.476 6 ↓
Mid Mid (pH 6-8) 2.82 5.4 -57.18 2 6 -1 92 394.476 6 ↓

Activity (Go SEA)

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