UCSF

ZINC40547591

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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) 1.91 3.5 -25.61 2 9 0 122 469.519 5 ↓
Mid Mid (pH 6-8) 1.91 4.27 -64.2 1 9 -1 125 468.511 5 ↓

Activity (Go SEA)

Rings

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

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