UCSF

ZINC49350141

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 Yes

Popular Name: [4-(3-chloro-2-pyridyl)piperazin-1-yl]-(1H-triazol-4-yl)methanone [4-(3-chloro-2-pyridyl)piperazin…

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Download: MOL2 SDF SMILES Flexibase

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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) 0.78 4.09 -8.79 1 7 0 78 292.73 2 ↓
Mid Mid (pH 6-8) 0.78 4.07 -38.47 0 7 -1 76 291.722 2 ↓

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

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