UCSF

ZINC39898222

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 Yes

Popular Name: (4S,6aS)-3-(5-chloro-2-hydroxy-phenyl)-5-(3-methoxypropyl)-4-phenyl-4,6a-dihydropyrrolo[3,4-c]pyrazo (4S,6aS)-3-(5-chloro-2-hydroxy-p…

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Vendors

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) 3.65 7.52 -36.31 1 6 -1 81 396.854 6 ↓
Mid Mid (pH 6-8) 3.65 6.76 -13.48 2 6 0 78 397.862 6 ↓
Mid Mid (pH 6-8) 3.65 6.56 -11.45 2 6 0 78 397.862 6 ↓

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