UCSF

ZINC57992414

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 19 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) 3.29 9.36 -45.95 1 2 1 14 260.332 5
Mid Mid (pH 6-8) 3.29 7.03 -6.77 0 2 0 12 259.324 5

Activity (Go SEA)

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