UCSF

ZINC40095454

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

Popular Name: (2R)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(2R)-2-methyl-2,3-dihydr (2R)-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) 2.44 3.71 -57.74 2 8 -1 119 503.325 6 ↓
Hi High (pH 8-9.5) 2.44 4.63 -117.24 1 8 -2 122 502.317 6 ↓
Lo Low (pH 4.5-6) 2.44 2.96 -14.97 3 8 0 117 504.333 6 ↓

Activity (Go SEA)

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