UCSF

ZINC40547646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 33 No

Popular Name: (4R)-4-(4-allyloxyphenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4- (4R)-4-(4-allyloxyphenyl)-5-[(3S…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.96 5.1 -23.61 2 8 0 113 465.531 6 ↓
Mid Mid (pH 6-8) 2.96 5.88 -62.2 1 8 -1 115 464.523 6 ↓

Activity (Go SEA)

Rings

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

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