UCSF

ZINC08818056

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 No

Popular Name: 4-[hydroxy-(3-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3-d 4-[hydroxy-(3-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) 4.28 11.44 -65.09 0 6 -1 83 455.534 7 ↓
Mid Mid (pH 6-8) 4.28 10.55 -11.46 1 6 0 80 456.542 7 ↓
Mid Mid (pH 6-8) 3.70 10.9 -11.93 0 6 0 77 456.542 7 ↓
Lo Low (pH 4.5-6) 4.28 10.85 -40.63 2 6 1 81 457.55 7 ↓
Lo Low (pH 4.5-6) 3.70 11.2 -43.69 1 6 1 78 457.55 7 ↓

Activity (Go SEA)

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