UCSF

ZINC62775290

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 20 Yes

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

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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) 0.12 3.53 -36.52 4 7 1 92 273.32 2 ↓
Mid Mid (pH 6-8) 0.12 3.07 -12.6 3 7 0 91 272.312 2 ↓

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

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