UCSF

ZINC40096570

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1- (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) 1.56 2.03 -67.64 2 9 -1 129 505.297 6 ↓
Hi High (pH 8-9.5) 1.56 2.94 -123.76 1 9 -2 131 504.289 6 ↓
Lo Low (pH 4.5-6) 1.56 1.28 -22.8 3 9 0 126 506.305 6 ↓

Activity (Go SEA)

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