UCSF

ZINC20467958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 Yes

Popular Name: [2-(4-methylpiperazin-1-yl)-3-quinolyl]methanol [2-(4-methylpiperazin-1-yl)-3-qu…

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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) 1.54 4.89 -41.26 2 4 1 41 258.345 2 ↓
Mid Mid (pH 6-8) 1.54 5.21 -92.28 3 4 2 42 259.353 2 ↓
Mid Mid (pH 6-8) 1.54 2.74 -25.61 2 4 1 41 258.345 2 ↓
Mid Mid (pH 6-8) 1.54 2.42 -8.71 1 4 0 40 257.337 2 ↓

Activity (Go SEA)

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