UCSF

ZINC65497469

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 Yes

Popular Name: [(3aS,4S,6R,6aR)-2-benzyl-6-isobutyl-4-(3-methylimidazol-4-yl)-1,3,3a,4,5,6a-hexahydropyrrolo[3,4-c] [(3aS,4S,6R,6aR)-2-benzyl-6-isob…

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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) 2.10 7.74 -101.27 4 5 2 56 370.541 6 ↓
Hi High (pH 8-9.5) 2.10 8.77 -39.19 3 5 1 55 369.533 6 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.