UCSF

ZINC67125777

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 23 No

Popular Name: 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(3-pyridylmethyl)pentanam 5-[(3aR,4R,6aS)-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) 0.78 3.21 -19.81 3 6 0 83 334.445 7 ↓
Lo Low (pH 4.5-6) 0.78 3.68 -50.29 4 6 1 84 335.453 7 ↓

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

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