UCSF

ZINC09375020

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 35 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2 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) 2.70 7.41 -59.6 0 9 -1 107 482.509 12 ↓
Mid Mid (pH 6-8) 3.14 7.23 -23.3 1 9 0 104 483.517 11 ↓
Mid Mid (pH 6-8) 2.11 1.21 -16.77 0 9 0 100 483.517 12 ↓

Activity (Go SEA)

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