UCSF

ZINC12422869

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 25 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) -0.58 -6.57 -24.09 3 8 0 113 359.411 6
Lo Low (pH 4.5-6) -0.58 -6.51 -54.55 4 8 1 114 360.419 6

Activity (Go SEA)

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