UCSF

ZINC52886395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 17 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) 4.07 7.22 -4.96 2 2 0 39 226.323 1
Mid Mid (pH 6-8) 4.07 7.54 -30.84 3 2 1 40 227.331 1

Activity (Go SEA)

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