UCSF

ZINC67964070

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 No

Popular Name: N-(3-chloro-4-cyano-phenyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]-propyl-amino]propanamide N-(3-chloro-4-cyano-phenyl)-3-[[…

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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) 2.18 5.9 -70.8 2 6 1 91 384.909 7 ↓
Mid Mid (pH 6-8) 2.18 3.88 -19.4 1 6 0 90 383.901 7 ↓

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

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