UCSF

ZINC86865160

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 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) 1.61 0.63 -39.11 4 2 1 48 152.217 2
Mid Mid (pH 6-8) 1.61 -0.08 -3.84 3 2 0 46 151.209 2

Activity (Go SEA)

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

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