UCSF

ZINC43912751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.87 5.08 -27.94 2 4 1 38 287.468 9
Hi High (pH 8-9.5) 2.87 4.79 -1.94 1 4 0 34 286.46 9
Hi High (pH 8-9.5) 2.87 6 -26.27 2 4 1 35 287.468 9

Activity (Go SEA)

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