UCSF

ZINC09046657

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 37 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(4-nitrophenyl)-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) 3.18 9.33 -55.94 0 10 -1 128 506.535 11 ↓
Mid Mid (pH 6-8) 2.60 11.45 -55.67 1 10 1 123 508.551 11 ↓
Mid Mid (pH 6-8) 3.63 11.48 -53.49 2 10 1 126 508.551 10 ↓
Mid Mid (pH 6-8) 3.18 11.67 -79.4 1 10 0 129 507.543 11 ↓

Activity (Go SEA)

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