UCSF

ZINC68891305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 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) 0.23 3.76 -106.56 3 4 2 38 230.352 5
Mid Mid (pH 6-8) 0.23 1.37 -35.57 2 4 1 37 229.344 5
Mid Mid (pH 6-8) 0.23 1.23 -34.72 2 4 1 37 229.344 5

Activity (Go SEA)

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

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