UCSF

ZINC18210730

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 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) 0.86 1.73 -49.58 1 7 -1 107 291.312 2
Hi High (pH 8-9.5) 1.04 -0.86 -122.52 0 7 -2 114 290.304 2
Hi High (pH 8-9.5) 1.04 -0.86 -122.37 0 7 -2 114 290.304 2
Mid Mid (pH 6-8) 1.02 3.39 -61.23 2 7 -1 111 291.312 2

Activity (Go SEA)

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

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