UCSF

ZINC34984669

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 Yes

Popular Name: N-[[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo N-[[5-(4-methylpiperazin-1-yl)-2…

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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) 2.20 11.48 -83.18 3 8 2 71 463.63 6 ↓
Hi High (pH 8-9.5) 2.20 8.73 -14.42 1 8 0 69 461.614 6 ↓
Mid Mid (pH 6-8) 2.20 9.73 -79.79 3 8 2 72 463.63 6 ↓
Mid Mid (pH 6-8) 2.20 9.15 -30.04 2 8 1 70 462.622 6 ↓
Mid Mid (pH 6-8) 2.20 12.1 -147.01 4 8 3 73 464.638 6 ↓

Activity (Go SEA)

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