UCSF

ZINC00607931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 No

Popular Name: 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-iodophenyl)-3-oxobutyl)-; 3-(alpha-Acetonyl-p-iodobenzyl)-4-hydroxycoumarin; Coumarin, 3-(alpha-acetonyl-p-iodobenzyl)-4-hydroxy-; Diocoumine; LS-55092 2H-1-Benzopyran-2-one, 4-hydroxy…

Find On: PubMed — Wikipedia — Google

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) 4.11 10.86 -42.23 0 4 -1 70 433.221 4 ↓
Mid Mid (pH 6-8) 4.11 9.5 -12.82 1 4 0 68 434.229 4 ↓
Lo Low (pH 4.5-6) 4.11 10.4 -21.16 1 4 0 68 434.229 4 ↓

Activity (Go SEA)

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