UCSF

ZINC33756943

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 37 No

Popular Name: (4E,5S)-4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-tert-butylphenyl)-1-(2-diethylaminoethyl)pyrroli (4E,5S)-4-[(3-butoxyphenyl)-hydr…

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) 6.34 15.84 -50.72 1 6 0 74 506.687 13 ↓
Hi High (pH 8-9.5) 6.34 13.64 -44.4 0 6 -1 73 505.679 13 ↓
Lo Low (pH 4.5-6) 6.34 14.7 -46.68 2 6 1 71 507.695 13 ↓

Activity (Go SEA)

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