UCSF

ZINC57690092

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 21 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) 2.83 7.06 -88.54 5 4 0 61 293.455 10
Mid Mid (pH 6-8) 2.83 6.99 -48.12 4 4 1 60 292.447 10

Activity (Go SEA)

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