UCSF

ZINC00300858

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 4-Methyl-2H-chromen-2-one 4-Methyl-2H-chromen-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 607-71-6 , [607-71-6]

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) 2.39 2.57 -11.21 0 2 0 30 160.172 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.11e-01 g/l DrugBank-experimental
Purity 95% Fluorochem

Activity (Go SEA)

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