UCSF

ZINC67514300

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: 4-methyl-7-[[methyl-[(1R)-1-(2-pyridyl)ethyl]amino]methyl]chromen-2-one 4-methyl-7-[[methyl-[(1R)-1-(2-p…

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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) 2.96 11.29 -43.5 1 4 1 48 309.389 4 ↓
Mid Mid (pH 6-8) 2.96 8.96 -11.72 0 4 0 46 308.381 4 ↓

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

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