UCSF

ZINC39898434

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 Yes

Popular Name: (4S,6aS)-5-butyl-3-(5-chloro-2-hydroxy-phenyl)-4-(3-methoxy-4-pentoxy-phenyl)-4,6a-dihydropyrrolo[3, (4S,6aS)-5-butyl-3-(5-chloro-2-h…

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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) 6.42 12.15 -37.31 1 7 -1 91 497.015 11 ↓
Mid Mid (pH 6-8) 6.42 11.37 -13.1 2 7 0 88 498.023 11 ↓
Mid Mid (pH 6-8) 6.42 11.04 -12.58 2 7 0 88 498.023 11 ↓

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