UCSF

ZINC25460848

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.92 10.52 -44.33 2 4 1 43 339.459 5
Mid Mid (pH 6-8) 3.92 8.43 -11.69 1 4 0 42 338.451 5

Activity (Go SEA)

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