UCSF

ZINC62033318

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 20 No

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

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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) 1.45 11.58 -50.94 2 5 1 41 296.464 4 ↓
Mid Mid (pH 6-8) 2.18 11.7 -70.35 1 5 0 38 295.456 4 ↓

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

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