UCSF

ZINC08741036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 34 No

Popular Name: 4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3-d 4-[hydroxy-(4-methoxyphenyl)-met…

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) 4.30 11.33 -63.34 0 6 -1 83 455.534 7 ↓
Mid Mid (pH 6-8) 4.75 9.89 -22.4 1 6 0 80 456.542 6 ↓
Lo Low (pH 4.5-6) 4.75 10.17 -45.92 2 6 1 81 457.55 6 ↓

Activity (Go SEA)

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