UCSF

ZINC20309816

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 34 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(2-hydroxy-4-methoxy-benzoyl)-5H- (5S)-5-(3,4-dimethoxyphenyl)-1-(…

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) 2.30 7.37 -81.18 2 9 0 113 470.522 10 ↓
Hi High (pH 8-9.5) 2.30 8.4 -140.6 1 9 -1 116 469.514 10 ↓

Activity (Go SEA)

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