UCSF

ZINC69491250

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 26 Yes

Popular Name: 2-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile 2-[[(3R)-3-methyl-4-[(1-methylim…

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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) 1.23 8.27 -32.89 1 6 1 54 349.462 4 ↓
Hi High (pH 8-9.5) 1.23 7.59 -17.31 0 6 0 53 348.454 4 ↓
Mid Mid (pH 6-8) 1.23 10.49 -87.14 2 6 2 55 350.47 4 ↓

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

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