UCSF

ZINC15986999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 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) 1.75 2.98 -6.92 3 4 0 68 208.261 5
Lo Low (pH 4.5-6) 1.75 3.02 -31.41 4 4 1 69 209.269 5
Lo Low (pH 4.5-6) 1.75 2.93 -33.83 4 4 1 69 209.269 5

Activity (Go SEA)

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