UCSF

ZINC67741202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 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) 1.36 8.43 -41.24 2 6 1 66 296.354 3
Mid Mid (pH 6-8) 1.36 7.98 -27.98 1 6 0 65 295.346 3

Activity (Go SEA)

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

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