UCSF

ZINC40175311

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 19 Yes

Popular Name: 8-isopropyl-4-piperazin-1-yl-quinoline 8-isopropyl-4-piperazin-1-yl-qui…

Find On: PubMed — Wikipedia — Google

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) 2.56 8.07 -88.16 3 3 2 34 257.381 2 ↓
Hi High (pH 8-9.5) 2.56 6.59 -27.42 2 3 1 29 256.373 2 ↓
Hi High (pH 8-9.5) 2.56 7.76 -46.35 2 3 1 33 256.373 2 ↓

Activity (Go SEA)

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