UCSF

ZINC49363655

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 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) -0.69 -2.98 -48.63 3 8 -1 134 296.284 4
Mid Mid (pH 6-8) -0.24 -4.88 -38.13 3 8 -1 135 296.284 4
Mid Mid (pH 6-8) -0.69 -2.96 -18.13 4 8 0 132 297.292 4

Activity (Go SEA)

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

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