UCSF

ZINC34984667

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 Yes

Popular Name: (8S)-N-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin (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) 2.97 13.98 -159.94 3 8 3 50 505.735 6 ↓
Hi High (pH 8-9.5) 2.97 9.25 -22.57 1 8 1 48 503.719 6 ↓
Mid Mid (pH 6-8) 2.97 11.85 -146.55 3 8 3 50 505.735 6 ↓
Mid Mid (pH 6-8) 2.97 11.66 -76.88 2 8 2 49 504.727 6 ↓
Mid Mid (pH 6-8) 2.97 14.14 -238.11 4 8 4 51 506.743 6 ↓

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