UCSF

ZINC62033322

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 No

Popular Name: 4-cyclopropyl-5-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]-1,2,4-triazole-3-thiol 4-cyclopropyl-5-[4-(pyrrolidin-1…

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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) 1.44 11.72 -49.41 2 5 1 41 308.475 4 ↓
Mid Mid (pH 6-8) 2.17 12.21 -74.66 1 5 0 38 307.467 4 ↓

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

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