UCSF

ZINC34932883

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 No

Popular Name: (4E,5S)-5-(4-tert-butylphenyl)-1-[3-(dimethylamino)propyl]-4-[(3-ethoxyphenyl)-hydroxy-methylene]pyr (4E,5S)-5-(4-tert-butylphenyl)-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) 4.79 13.08 -81.02 1 6 0 74 464.606 10 ↓
Lo Low (pH 4.5-6) 4.79 12.33 -53.87 2 6 1 71 465.614 10 ↓

Activity (Go SEA)

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