UCSF

ZINC69847221

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 Yes

Popular Name: N-(2-cyanoethyl)-2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-N-methyl-acetamide N-(2-cyanoethyl)-2-[(3R)-3-[(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) -0.75 8.63 -60.51 1 7 1 79 319.433 6 ↓
Hi High (pH 8-9.5) -0.75 6.44 -21.45 0 7 0 78 318.425 6 ↓
Lo Low (pH 4.5-6) -0.75 9.06 -104.01 2 7 2 81 320.441 6 ↓

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

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