UCSF

ZINC43258948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.24 5.6 -44.37 3 2 1 31 346.358 5
Hi High (pH 8-9.5) 4.24 7.21 -32.38 3 2 1 30 346.358 5
Hi High (pH 8-9.5) 4.24 5.3 -1.83 2 2 0 29 345.35 5
Lo Low (pH 4.5-6) 4.24 7.51 -110.4 4 2 2 32 347.366 5

Activity (Go SEA)

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