UCSF

ZINC09174770

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 33 No

Popular Name: 5-(3-chlorophenyl)-1-(4,6-dimethylbenzothiazol-2-yl)-4-[hydroxy-(5-methyl-2-furyl)-methylene]-pyrrol 5-(3-chlorophenyl)-1-(4,6-dimeth…

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) 5.57 12.59 -61.19 0 6 -1 86 477.949 4 ↓
Mid Mid (pH 6-8) 5.57 13.32 -15.9 1 6 0 84 478.957 4 ↓
Mid Mid (pH 6-8) 4.98 0.62 -17.12 0 6 0 80 478.957 4 ↓

Activity (Go SEA)

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