UCSF

ZINC65496608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

Popular Name: (3aR,6aR)-5-benzyl-N-[(3-ethylimidazol-4-yl)methyl]-1,2,3,3a,4,6-hexahydropyrrolo[3,4-c]pyrrole-6a-c (3aR,6aR)-5-benzyl-N-[(3-ethylim…

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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) 1.20 6.71 -100.01 4 6 2 68 355.486 6 ↓
Hi High (pH 8-9.5) 1.20 4.75 -12.36 2 6 0 62 353.47 6 ↓
Mid Mid (pH 6-8) 1.20 6.19 -56.48 3 6 1 67 354.478 6 ↓

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

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