UCSF

ZINC05009408

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 18 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) -0.33 -0.83 -43.29 2 9 -1 136 262.234 2
Hi High (pH 8-9.5) -0.33 -1.5 -83.15 1 9 -2 134 261.226 2
Hi High (pH 8-9.5) -0.33 -1.31 -83.67 1 9 -2 134 261.226 2
Hi High (pH 8-9.5) -0.33 -0.77 -43.79 2 9 -1 136 262.234 2
Mid Mid (pH 6-8) -0.33 -1.27 -83.71 1 9 -2 134 261.226 2
Mid Mid (pH 6-8) -0.79 0.81 -15.53 3 9 0 133 263.242 2
Lo Low (pH 4.5-6) -0.79 0.84 -13.03 3 9 0 133 263.242 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.