UCSF

ZINC34984559

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 Yes

Popular Name: (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-(morpholinomethyl)imidazo[1,2-a]pyridin-2-yl]methyl]- (8S)-N-methyl-N-[[5-(4-methylpip…

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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) 2.93 12.19 -84.37 2 8 2 55 491.684 6 ↓
Hi High (pH 8-9.5) 2.93 9.9 -12.71 0 8 0 52 489.668 6 ↓
Hi High (pH 8-9.5) 2.93 9.83 -23.53 1 8 1 54 490.676 6 ↓
Mid Mid (pH 6-8) 2.93 9.45 -75.91 2 8 2 55 491.684 6 ↓
Mid Mid (pH 6-8) 2.93 11.84 -145.91 3 8 3 56 492.692 6 ↓
Mid Mid (pH 6-8) 2.93 12.23 -30.48 1 8 1 54 490.676 6 ↓
Lo Low (pH 4.5-6) 2.93 13.63 -276.16 4 8 4 57 493.7 6 ↓
Lo Low (pH 4.5-6) 2.93 15.17 -189.2 3 8 3 56 492.692 6 ↓

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