UCSF

ZINC58346361

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 No

Popular Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-cyano-4-[(1R)-cyclopent-2-en-1-yl]-3-oxo-butanamide (2S)-N-(4-chloro-2-methoxy-5-met…

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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) 2.89 8.73 -38.61 1 5 -1 85 345.806 6 ↓
Hi High (pH 8-9.5) 3.81 6.56 -124.9 0 5 -2 92 344.798 5 ↓
Mid Mid (pH 6-8) 3.04 9.51 -15.08 1 5 0 79 346.814 6 ↓

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

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