UCSF

ZINC69131628

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 25 Yes

Popular Name: (4-methylpiperazin-1-yl)-[2-(4-pyridyl)-4-quinolyl]methanone (4-methylpiperazin-1-yl)-[2-(4-p…

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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) 1.63 6.14 -11.05 0 5 0 49 332.407 2 ↓
Mid Mid (pH 6-8) 1.63 8.49 -51.01 1 5 1 51 333.415 2 ↓
Lo Low (pH 4.5-6) 1.63 8.95 -99.75 2 5 2 52 334.423 2 ↓

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Rings

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