UCSF

ZINC65321238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 Yes

Popular Name: 2-(p-tolyl)-4-[4-(2-pyridyl)piperazin-1-yl]quinazoline 2-(p-tolyl)-4-[4-(2-pyridyl)pipe…

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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) 5.02 14.58 -78.2 2 5 2 48 383.499 3 ↓
Hi High (pH 8-9.5) 5.02 13.93 -10.45 0 5 0 45 381.483 3 ↓
Mid Mid (pH 6-8) 5.02 14.59 -68.73 2 5 2 48 383.499 3 ↓

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

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