UCSF

ZINC33839180

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 19 Yes

Popular Name: 4H-1-Benzopyran-4-one, 8-((dimethylamino)methyl)-3-ethyl-7-hydroxy-2-methyl-, hydrochloride; 8-(Dimethylamino)methyl-3-ethyl-7-hydroxy-2-methylchromone hydrochloride; Chromone, 8-(dimethylamino)methyl-3-ethyl-7-hydroxy-2-methyl-, hydrochloride; Chromone, 4H-1-Benzopyran-4-one, 8-((dimet…

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) 2.58 5.84 -46.24 2 4 1 55 262.329 3 ↓
Hi High (pH 8-9.5) 2.58 6.73 -37.35 1 4 0 58 261.321 3 ↓
Hi High (pH 8-9.5) 2.58 3.37 -10.98 1 4 0 54 261.321 3 ↓

Activity (Go SEA)

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