UCSF

ZINC67947233

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 1.30 4.24 -13.45 2 5 0 65 294.358 2
Mid Mid (pH 6-8) 1.30 6.5 -41.97 3 5 1 66 295.366 2

Activity (Go SEA)

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

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