UCSF

ZINC08845172

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 31 Yes

Popular Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-8-(5-chloro-2-hydroxy-4-methyl-phenyl)-3-(2-hydroxyethyl)-3,6 2-(3-bromo-4-hydroxy-5-methoxy-p…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 3.45 2.34 -13.19 4 8 0 119 508.756 5 ↓
Ref Reference (pH 7) 3.45 2.4 -10.77 4 8 0 119 508.756 5 ↓
Hi High (pH 8-9.5) 3.42 2.14 -55.66 2 8 -1 118 507.748 5 ↓
Hi High (pH 8-9.5) 3.43 2.32 -51 2 8 -1 118 507.748 5 ↓
Hi High (pH 8-9.5) 3.43 3.24 -93.1 1 8 -2 121 506.74 5 ↓
Hi High (pH 8-9.5) 3.43 2 -58.52 2 8 -1 118 507.748 5 ↓
Hi High (pH 8-9.5) 3.43 2.92 -119.95 1 8 -2 121 506.74 5 ↓
Hi High (pH 8-9.5) 3.45 3.06 -42.16 3 8 -1 122 507.748 5 ↓
Mid Mid (pH 6-8) 3.45 3.17 -46.38 3 8 -1 122 507.748 5 ↓

Activity (Go SEA)

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