UCSF

ZINC65508407

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 21 Yes

Popular Name: N-[(3-isobutylimidazol-4-yl)methyl]-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxamide N-[(3-isobutylimidazol-4-yl)meth…

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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) 0.30 3.03 -94.56 5 6 2 77 293.415 5 ↓
Mid Mid (pH 6-8) 0.30 2.35 -47.91 4 6 1 76 292.407 5 ↓
Lo Low (pH 4.5-6) 0.30 4.47 -179.49 6 6 3 81 294.423 5 ↓

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

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