UCSF

ZINC34944295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 No

Popular Name: (4E,5R)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(3-hydroxyphenyl)-1-(3-morpholinopropyl)pyrroli (4E,5R)-4-[(2,5-dimethylphenyl)-…

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) 2.85 6.53 -61.93 1 7 -1 93 449.527 7 ↓
Mid Mid (pH 6-8) 2.85 8.8 -77.44 2 7 0 94 450.535 7 ↓
Lo Low (pH 4.5-6) 2.85 7.91 -49.41 3 7 1 92 451.543 7 ↓

Activity (Go SEA)

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