UCSF

ZINC08837980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 35 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(2-fluorophenyl)-1-(3-morpholinopropyl)pyrrolidine-2,3-di 4-[(4-allyloxyphenyl)-hydroxy-me…

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) 3.34 8.8 -57.96 0 7 -1 82 479.528 10 ↓
Mid Mid (pH 6-8) 2.76 0.69 -49.34 1 7 1 77 481.544 10 ↓
Mid Mid (pH 6-8) 3.34 11.13 -75.19 1 7 0 83 480.536 10 ↓

Activity (Go SEA)

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