UCSF

ZINC62033319

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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Download: MOL2 SDF SMILES Flexibase

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) 1.95 12.33 -51.16 2 5 1 41 310.491 5 ↓
Hi High (pH 8-9.5) 2.68 12.45 -70.88 1 5 0 38 309.483 5 ↓
Mid Mid (pH 6-8) 1.95 12.6 -116.02 3 5 2 42 311.499 5 ↓

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

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