UCSF

ZINC40376102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 15 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) -0.54 -2.06 -41.5 3 6 -1 107 228.253 3
Mid Mid (pH 6-8) -0.54 -1.84 -42.41 3 6 -1 107 228.253 3
Lo Low (pH 4.5-6) -0.54 -2.12 -12.98 4 6 0 105 229.261 3
Lo Low (pH 4.5-6) -0.54 -2.11 -47.69 4 6 0 108 229.261 3

Activity (Go SEA)

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