UCSF

ZINC40079040

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 35 No

Popular Name: (2R)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(4-isopropoxybenzoyl)-2H-pyrro (2R)-2-(3,4-dimethoxyphenyl)-4-h…

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) 2.08 5.65 -60.76 1 9 -1 118 484.525 12 ↓
Lo Low (pH 4.5-6) 2.08 4.82 -17.13 2 9 0 115 485.533 12 ↓

Activity (Go SEA)

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