UCSF

ZINC59268878

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 11 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) -0.13 2.85 -39.06 3 5 0 85 155.157 2
Mid Mid (pH 6-8) -0.13 2.7 -48.94 2 5 -1 84 154.149 2

Activity (Go SEA)

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

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