UCSF

ZINC25512089

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 3.87 9.07 -12.17 1 4 0 45 341.48 5
Mid Mid (pH 6-8) 3.87 9.36 -38.56 2 4 1 46 342.488 5

Activity (Go SEA)

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