UCSF

ZINC40053878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 30 No

Popular Name: (2R)-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(3-hydroxypropyl)-3-(3-methoxybenzoyl)-2H-pyrrol-5-o (2R)-4-hydroxy-2-(4-hydroxy-3-me…

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) 1.39 2.45 -64.6 2 8 -1 119 412.418 8 ↓
Lo Low (pH 4.5-6) 1.39 1.7 -19.85 3 8 0 117 413.426 8 ↓

Activity (Go SEA)

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