UCSF

ZINC22113311

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 No

Other Names:

MFCD01008551

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) -0.89 -0.58 -22.22 3 4 0 73 184.22 3
Hi High (pH 8-9.5) -0.89 -0.51 -17.31 3 4 0 73 184.22 3
Hi High (pH 8-9.5) -1.02 -1.21 -19.77 3 4 0 76 184.22 2
Hi High (pH 8-9.5) -0.89 -0.79 -12.63 3 4 0 73 184.22 3
Hi High (pH 8-9.5) -0.89 -0.71 -15 3 4 0 73 184.22 3
Hi High (pH 8-9.5) -1.02 -1.35 -12.59 3 4 0 76 184.22 2
Lo Low (pH 4.5-6) -0.89 -0.68 -42.42 4 4 1 75 185.228 3
Lo Low (pH 4.5-6) -0.89 -0.51 -38.67 4 4 1 75 185.228 3

Activity (Go SEA)

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