UCSF

ZINC40100421

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-(3-methoxybenzoyl)-2H-pyr (2S)-2-(3-bromo-4-hydroxy-5-meth…

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 2.29 -63.41 2 8 -1 119 477.287 7 ↓
Hi High (pH 8-9.5) 2.08 3.21 -120.61 1 8 -2 122 476.279 7 ↓
Lo Low (pH 4.5-6) 2.08 1.53 -19.25 3 8 0 117 478.295 7 ↓

Activity (Go SEA)

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