UCSF

ZINC55074665

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 Yes

Popular Name: 4-methyl-7-[[[(1S)-1-methylpropyl]-(3-pyridylmethyl)amino]methyl]chromen-2-one 4-methyl-7-[[[(1S)-1-methylpropy…

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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 11.57 -54.81 1 4 1 48 337.443 6 ↓
Mid Mid (pH 6-8) 3.54 9.46 -13.53 0 4 0 46 336.435 6 ↓

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

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