UCSF

ZINC33905734

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 39 No

Popular Name: (3aS,4R,6S,6aR)-2-(2-anilinoethyl)-6-benzyl-1,3-dioxo-4-(4-propoxyphenyl)-3a,4,5,6a-tetrahydropyrrol (3aS,4R,6S,6aR)-2-(2-anilinoethy…

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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) 2.36 13.9 -54.53 3 8 0 115 527.621 11 ↓
Mid Mid (pH 6-8) 2.36 12.07 -50.61 2 8 -1 111 526.613 11 ↓
Mid Mid (pH 6-8) 2.36 12.85 -59.91 2 8 -1 111 526.613 11 ↓

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