UCSF

ZINC65499380

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 No

Popular Name: (3S)-5-[(3S,5S)-2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazolidin-3-yl]-6-methyl-2-oxo-3H-pyridine- (3S)-5-[(3S,5S)-2-(4-chloropheny…

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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) 3.04 6.44 -69.74 4 6 1 89 356.837 3 ↓
Mid Mid (pH 6-8) 3.04 5.12 -18.07 3 6 0 84 355.829 3 ↓

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

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