UCSF

ZINC25460940

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 1.37 3.92 -31.75 1 8 0 104 455.533 5
Mid Mid (pH 6-8) 1.37 3.99 -55.68 0 8 -1 106 454.525 5

Activity (Go SEA)

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