UCSF

ZINC49543808

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 No

Popular Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(5-isobutyl-1,3,4-thiadia 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6…

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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) 2.06 5.16 -27.14 3 7 0 96 383.543 8 ↓
Mid Mid (pH 6-8) 2.25 3.83 -59.09 2 7 -1 102 382.535 8 ↓

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Rings

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

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