UCSF

ZINC69702239

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 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) 2.65 5.82 -15.36 1 6 0 77 348.403 5
Mid Mid (pH 6-8) 2.65 5.96 -44.89 0 6 -1 79 347.395 5

Activity (Go SEA)

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

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