UCSF

ZINC08897725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 36 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(3-pyridyl)pyrrolidine-2,3 4-[(4-butoxy-3-methyl-phenyl)-hy…

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) 3.16 8.5 -60.99 0 8 -1 95 492.596 11 ↓
Mid Mid (pH 6-8) 3.16 10.78 -47.1 2 8 1 93 494.612 11 ↓
Mid Mid (pH 6-8) 2.58 11.13 -50.2 1 8 1 90 494.612 11 ↓
Mid Mid (pH 6-8) 3.16 10.83 -83.09 1 8 0 96 493.604 11 ↓
Lo Low (pH 4.5-6) 2.58 11.42 -106.28 2 8 2 91 495.62 11 ↓
Lo Low (pH 4.5-6) 3.16 11.07 -97.55 3 8 2 95 495.62 11 ↓

Activity (Go SEA)

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