UCSF

ZINC23043296

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 27 Yes

Popular Name: 3-methyl-1-[(2-methyl-2-morpholino-propyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile 3-methyl-1-[(2-methyl-2-morpholi…

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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) 3.55 8.54 -17.5 1 6 0 66 363.465 4 ↓
Mid Mid (pH 6-8) 3.55 10.64 -64.52 2 6 1 67 364.473 4 ↓
Lo Low (pH 4.5-6) 3.55 11.05 -96.89 3 6 2 68 365.481 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.