UCSF

ZINC40282625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.73 13.92 -14.59 1 7 0 75 513.638 12
Mid Mid (pH 6-8) 5.73 14.38 -38.95 2 7 1 76 514.646 12

Activity (Go SEA)

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