UCSF

ZINC34984911

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 2.21 9.91 -98.18 3 9 2 89 499.685 7 ↓
Hi High (pH 8-9.5) 2.21 7.11 -16.54 1 9 0 86 497.669 7 ↓
Mid Mid (pH 6-8) 2.21 7.56 -86.76 3 9 2 89 499.685 7 ↓
Mid Mid (pH 6-8) 2.21 7.41 -31.81 2 9 1 87 498.677 7 ↓
Mid Mid (pH 6-8) 2.21 9.7 -155.6 4 9 3 90 500.693 7 ↓

Activity (Go SEA)

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