UCSF

ZINC34984799

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 2.59 10.91 -98.07 3 9 2 89 513.712 8 ↓
Hi High (pH 8-9.5) 2.59 7.87 -16.3 1 9 0 86 511.696 8 ↓
Mid Mid (pH 6-8) 2.59 8.12 -77.21 3 9 2 89 513.712 8 ↓
Mid Mid (pH 6-8) 2.59 8.3 -31.76 2 9 1 87 512.704 8 ↓
Mid Mid (pH 6-8) 2.59 10.52 -156.47 4 9 3 90 514.72 8 ↓

Activity (Go SEA)

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