UCSF

ZINC49509313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 1.56 3.71 -28.03 2 4 1 39 236.339 4
Mid Mid (pH 6-8) 1.56 3.24 -5.22 1 4 0 37 235.331 4
Mid Mid (pH 6-8) 1.56 6.05 -92.8 3 4 2 40 237.347 4
Mid Mid (pH 6-8) 1.56 5.58 -38.04 2 4 1 39 236.339 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.