UCSF

ZINC69491608

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 Yes

Popular Name: N-(2-cyanoethyl)-2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide N-(2-cyanoethyl)-2-[(2S)-2-[(3,5…

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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) -0.88 6.44 -49.07 2 7 1 88 291.379 6 ↓
Hi High (pH 8-9.5) -0.88 4.26 -21.71 1 7 0 87 290.371 6 ↓

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

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