UCSF

ZINC35188098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 17 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) 2.77 4.44 -4.69 2 2 0 32 247.363 5
Lo Low (pH 4.5-6) 2.77 5.62 -39.57 3 2 1 37 248.371 5

Activity (Go SEA)

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