UCSF

ZINC40076945

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 No

Popular Name: (2S)-3-(4-bromobenzoyl)-2-(4-dimethylaminophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2H-pyrrol-5 (2S)-3-(4-bromobenzoyl)-2-(4-dim…

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) 2.55 6.48 -64.26 1 7 -1 93 488.358 9 ↓
Lo Low (pH 4.5-6) 2.55 5.73 -16.87 2 7 0 90 489.366 9 ↓

Activity (Go SEA)

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