UCSF

ZINC69062210

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 22 No

Popular Name: 4-cyclopropyl-5-(4-methyl-1-piperidyl)-2-[[methyl(propyl)amino]methyl]-1,2,4-triazole-3-thione 4-cyclopropyl-5-(4-methyl-1-pipe…

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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) 2.35 14.1 -34.11 1 5 1 30 324.518 6 ↓
Hi High (pH 8-9.5) 2.35 11.62 -9.13 0 5 0 29 323.51 6 ↓

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

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