UCSF

ZINC19450450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 Yes

Popular Name: [4-(2-isopropoxyethyl)piperazin-1-yl]-[2-(4-pyridyl)-4-quinolyl]methanone [4-(2-isopropoxyethyl)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) 2.36 7.87 -11.43 0 6 0 59 404.514 6 ↓
Mid Mid (pH 6-8) 2.36 10.23 -48.81 1 6 1 60 405.522 6 ↓
Lo Low (pH 4.5-6) 2.36 10.67 -98.93 2 6 2 61 406.53 6 ↓

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

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