UCSF

ZINC05688609

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 22 Yes

Popular Name: 2H-1-Benzopyran-2-one, 3-(2,6-diethylphenyl)-4-hydroxy-; 3-(2,6-Diethylphenyl)-4-hydroxy-2H-1-benzopyran-2-one; 3-(2,6-Diethylphenyl)-4-hydroxycoumarin; BRN 1291695; Coumarin, 3-(2,6-diethylphenyl)-4-hydroxy-; LS-55160 2H-1-Benzopyran-2-one, 3-(2,6-di…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.18 10.15 -45.24 0 3 -1 53 293.342 3 ↓
Mid Mid (pH 6-8) 5.18 9.55 -15.62 1 3 0 50 294.35 3 ↓

Activity (Go SEA)

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