UCSF

ZINC34378142

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 28 No

Popular Name: (3aS,4R,6R,6aR)-4-(2-hydroxyphenyl)-6-methyl-2-(o-tolyl)-1,3-dioxo-3a,4,5,6a-tetrahydropyrrolo[3,4-c (3aS,4R,6R,6aR)-4-(2-hydroxyphen…

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Vendors

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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) 0.55 7.08 -28.76 3 7 0 114 380.4 3 ↓
Hi High (pH 8-9.5) 0.55 6.08 -53.85 2 7 -1 110 379.392 3 ↓
Hi High (pH 8-9.5) 0.55 7.91 -59.15 2 7 -1 117 379.392 3 ↓
Mid Mid (pH 6-8) 0.55 5.95 -48.7 2 7 -1 110 379.392 3 ↓

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