UCSF

ZINC97970954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2014 40 No

Popular Name: (4E,5R)-4-[(4-benzyloxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(p-tolyl)pyrrol (4E,5R)-4-[(4-benzyloxy-3-methyl…

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) 5.00 12.07 -61.62 0 7 -1 82 539.652 10 ↓
Mid Mid (pH 6-8) 5.00 14.33 -73.93 1 7 0 83 540.66 10 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.