UCSF

ZINC55544065

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 25 Yes

Popular Name: 3-[[4-(o-tolyl)piperazin-1-yl]methyl]chromen-4-one 3-[[4-(o-tolyl)piperazin-1-yl]me…

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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) 3.54 9.62 -11.41 0 4 0 37 334.419 3 ↓
Mid Mid (pH 6-8) 3.54 9.64 -37.58 1 4 1 38 335.427 3 ↓

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Rings

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

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