UCSF

ZINC43912725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.37 4.89 -31.72 2 4 1 38 273.441 9
Hi High (pH 8-9.5) 2.37 3.82 -2.43 1 4 0 34 272.433 9
Hi High (pH 8-9.5) 2.37 5.58 -26.17 2 4 1 35 273.441 9

Activity (Go SEA)

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