UCSF

ZINC05690902

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 31 Yes

Popular Name: 8-(2-hydroxy-3,5-dimethyl-phenyl)-2-(4-hydroxy-3-methoxy-phenyl)-3-(3-hydroxypropyl)-3,6,7-triazabic 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) 2.52 2.52 -16.62 4 8 0 119 423.469 6 ↓
Hi High (pH 8-9.5) 2.29 2.21 -63.96 2 8 -1 118 422.461 6 ↓
Hi High (pH 8-9.5) 2.29 2.5 -54.17 2 8 -1 118 422.461 6 ↓

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