UCSF

ZINC09041293

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 No

Popular Name: 4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(3-pyridyl)pyrrolidine-2,3 4-[(2,4-dimethylthiazol-5-yl)-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) 0.39 4.8 -60.73 0 8 -1 99 441.533 7 ↓
Mid Mid (pH 6-8) 0.84 6.92 -44.17 2 8 1 97 443.549 6 ↓
Mid Mid (pH 6-8) 0.39 7.13 -79.12 1 8 0 100 442.541 7 ↓
Lo Low (pH 4.5-6) 0.84 7.21 -111.6 3 8 2 98 444.557 6 ↓

Activity (Go SEA)

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