UCSF

ZINC54866755

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 24 Yes

Popular Name: 7-chloro-4-[4-(3-pyridylmethyl)piperazin-1-yl]quinoline 7-chloro-4-[4-(3-pyridylmethyl)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) 2.98 8.18 -35.27 1 4 1 34 339.85 3 ↓
Hi High (pH 8-9.5) 2.98 7.76 -6.85 0 4 0 32 338.842 3 ↓
Mid Mid (pH 6-8) 2.98 10.42 -98.01 2 4 2 35 340.858 3 ↓

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Rings

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