UCSF

ZINC49455662

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 22 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) 2.60 11 -48.44 0 5 -1 69 296.35 3
Mid Mid (pH 6-8) 2.60 11.37 -58.56 1 5 0 70 297.358 3

Activity (Go SEA)

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