UCSF

ZINC05342287

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 29 Yes

Popular Name: 8-(2-hydroxy-3,5-dimethyl-phenyl)-2-(3-hydroxyphenyl)-3-(3-hydroxypropyl)-3,6,7-triazabicyclo[3.3.0] 8-(2-hydroxy-3,5-dimethyl-phenyl…

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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) 2.68 2.78 -16.71 4 7 0 110 393.443 5 ↓
Ref Reference (pH 7) 2.68 2.72 -14.28 4 7 0 110 393.443 5 ↓
Hi High (pH 8-9.5) 2.68 3.53 -49.89 3 7 -1 113 392.435 5 ↓
Hi High (pH 8-9.5) 2.45 2.56 -60.69 2 7 -1 109 392.435 5 ↓
Hi High (pH 8-9.5) 2.45 2.52 -55.55 2 7 -1 109 392.435 5 ↓

Activity (Go SEA)

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