UCSF

ZINC63957643

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 21 Yes

Popular Name: 4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-chromen-2-one 4-[[cyclopropyl(2-hydroxyethyl)a…

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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) 2.28 7.51 -47.31 2 4 1 55 288.367 5 ↓
Hi High (pH 8-9.5) 2.28 5.36 -12.47 1 4 0 54 287.359 5 ↓

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

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