UCSF

ZINC17993969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 34 No

Popular Name: (2S,3S)-2-cyano-3-[(4R)-3-methyl-1-[4-(3-nitrophenyl)thiazol-2-yl]-5-oxo-4H-pyrazol-4-yl]-3-phenyl-p (2S,3S)-2-cyano-3-[(4R)-3-methyl…

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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) 3.50 9.56 -27 2 10 0 158 474.502 7 ↓
Mid Mid (pH 6-8) 3.25 7.87 -28.49 3 10 0 164 474.502 7 ↓

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

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