UCSF

ZINC39911875

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 Yes

Popular Name: (3aR,4R)-5-butyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a,4-dihydropyrrol (3aR,4R)-5-butyl-3-(2-hydroxy-3,…

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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) 6.57 11.94 -15.25 2 7 0 88 491.632 11 ↓
Hi High (pH 8-9.5) 6.34 12.49 -45.51 0 7 -1 87 490.624 11 ↓
Hi High (pH 8-9.5) 6.34 12.19 -57.31 0 7 -1 87 490.624 11 ↓
Hi High (pH 8-9.5) 6.57 13.03 -40.12 1 7 -1 91 490.624 11 ↓

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