UCSF

ZINC57939959

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 25 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) 0.76 4.65 -20.84 2 6 0 88 359.382 2
Mid Mid (pH 6-8) 1.22 2.66 -49.46 1 6 -1 91 358.374 2

Activity (Go SEA)

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

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