UCSF

ZINC65518997

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 21 Yes

Popular Name: (2R)-1-[(2-phenyltriazol-4-yl)methyl]piperidine-2-carboxamide (2R)-1-[(2-phenyltriazol-4-yl)me…

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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) 1.36 4.83 -36.52 3 6 1 78 286.359 4 ↓
Mid Mid (pH 6-8) 1.36 2.73 -12.38 2 6 0 77 285.351 4 ↓

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

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