UCSF

ZINC40093935

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 34 No

Popular Name: (2S)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-(4-isobutoxy-3-methyl-benzoyl)-2H-pyrrol (2S)-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) 2.95 7.02 -59.77 1 8 -1 108 468.526 10 ↓
Lo Low (pH 4.5-6) 2.95 6.27 -15.76 2 8 0 106 469.534 10 ↓

Activity (Go SEA)

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