UCSF

ZINC40144482

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 Yes

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) 3.02 11.41 -35.67 2 6 1 68 405.522 5
Mid Mid (pH 6-8) 3.02 10.98 -18.98 1 6 0 67 404.514 5

Activity (Go SEA)

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