UCSF

ZINC43445229

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.26 4.46 -178.77 6 4 3 57 260.446 9
Hi High (pH 8-9.5) 0.26 2.62 -85.52 5 4 2 56 259.438 9
Hi High (pH 8-9.5) 0.26 0.6 -43.17 4 4 1 54 258.43 9
Mid Mid (pH 6-8) 0.26 2.44 -92.75 5 4 2 56 259.438 9

Activity (Go SEA)

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