UCSF

ZINC49304951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 16 No

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) -0.56 2.78 -50.75 3 5 1 66 226.3 6
Mid Mid (pH 6-8) -0.56 1.44 -17.34 2 5 0 61 225.292 6

Activity (Go SEA)

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

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