UCSF

ZINC40282441

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 35 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) 6.20 12.79 -10.41 1 6 0 65 471.601 9
Mid Mid (pH 6-8) 6.20 13.31 -35.63 2 6 1 67 472.609 9

Activity (Go SEA)

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