UCSF

ZINC65492410

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: 6-ethyl-4-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]chromen-2-one 6-ethyl-4-[[methyl-[(1S)-1-pyrim…

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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) 2.91 9.32 -13.99 0 5 0 59 323.396 5 ↓
Mid Mid (pH 6-8) 2.91 11.56 -54.53 1 5 1 60 324.404 5 ↓

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

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