UCSF

ZINC62780184

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 19 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) -0.73 1.71 -52.96 4 5 1 87 260.317 4
Mid Mid (pH 6-8) -0.73 1.43 -8.17 3 5 0 85 259.309 4

Activity (Go SEA)

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

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