UCSF

ZINC39898473

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 29 Yes

Popular Name: (4R,6aS)-5-butyl-3-(5-chloro-2-hydroxy-phenyl)-4-(4-methoxyphenyl)-4,6a-dihydropyrrolo[3,4-c]pyrazol (4R,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) 4.89 8.87 -39.23 1 6 -1 81 410.881 6 ↓
Mid Mid (pH 6-8) 4.89 8.1 -13.72 2 6 0 78 411.889 6 ↓
Mid Mid (pH 6-8) 4.89 7.97 -10.41 2 6 0 78 411.889 6 ↓

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