UCSF

ZINC39262346

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 24 No

Popular Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(2-pyridyl)ethyl]penta 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) 1.25 3.98 -23.33 3 6 0 83 348.472 8 ↓
Lo Low (pH 4.5-6) 1.25 4.34 -48.32 4 6 1 84 349.48 8 ↓

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

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