UCSF

ZINC69557490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 No

Popular Name: (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiazolidine-4-carboxamide (4S)-3-[(Z)-2-methylpent-2-enoyl…

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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) 2.10 10.25 -17.85 1 7 0 83 345.428 3 ↓
Mid Mid (pH 6-8) 2.11 8.6 -62.88 0 7 -1 86 344.42 4 ↓

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

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