UCSF

ZINC38294843

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 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) -0.48 9.85 -114.62 0 4 -2 80 262.305 6
Lo Low (pH 4.5-6) -0.48 5.87 -10.09 2 4 0 75 264.321 6
Lo Low (pH 4.5-6) -0.48 7.84 -52.09 1 4 -1 77 263.313 6

Activity (Go SEA)

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