UCSF

ZINC19848966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 No

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) -0.84 0.47 -16.55 2 7 0 87 334.351 4
Ref Reference (pH 7) -0.84 0.45 -16.61 2 7 0 87 334.351 4
Lo Low (pH 4.5-6) -0.84 4.95 -133.82 4 7 2 89 336.367 4
Lo Low (pH 4.5-6) -0.84 2.5 -62.07 3 7 1 88 335.359 4
Lo Low (pH 4.5-6) -0.84 2.67 -52.54 3 7 1 88 335.359 4
Lo Low (pH 4.5-6) -0.84 2.65 -52.55 3 7 1 88 335.359 4

Activity (Go SEA)

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