UCSF

ZINC42805109

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 42 No

Popular Name: 1-[3-[(1R,2S,3R)-1,4-bis(4-hydroxyphenyl)-2,3-dimethyl-butyl]-2,4-dihydroxy-6-methoxy-phenyl]-3-(4-m 1-[3-[(1R,2S,3R)-1,4-bis(4-hydro…

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) 7.35 9.41 -14.4 4 7 0 116 570.682 12 ↓
Hi High (pH 8-9.5) 7.35 11.2 -122.83 2 7 -2 122 568.666 12 ↓
Hi High (pH 8-9.5) 7.35 10.21 -40.36 3 7 -1 119 569.674 12 ↓
Mid Mid (pH 6-8) 7.35 10.23 -48.67 3 7 -1 119 569.674 12 ↓

Activity (Go SEA)

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