UCSF

ZINC34984557

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 Yes

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

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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) 2.84 14.05 -193.79 4 7 3 59 436.628 6 ↓
Hi High (pH 8-9.5) 2.84 9.44 -21.74 2 7 1 53 434.612 6 ↓
Mid Mid (pH 6-8) 2.84 11.92 -117.71 3 7 2 58 435.62 6 ↓
Mid Mid (pH 6-8) 2.84 11.73 -103.86 3 7 2 58 435.62 6 ↓

Activity (Go SEA)

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