UCSF

ZINC43219007

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 37 No

Popular Name: (3aS,4S,6R,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-2-(3-nitrophenyl)-1,3-dioxo-6-phenyl-3a,4,5,6a-tetrah (3aS,4S,6R,6aR)-4-(4-hydroxy-3-m…

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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) 2.68 10.63 -43.97 3 11 0 169 503.467 6 ↓
Hi High (pH 8-9.5) 2.69 8.15 -47.49 2 11 -1 165 502.459 6 ↓
Mid Mid (pH 6-8) 2.68 9.68 -51.63 2 11 -1 165 502.459 6 ↓

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