UCSF

ZINC18193725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 24 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) 4.52 4.98 -44.43 1 5 -1 74 339.396 5
Hi High (pH 8-9.5) 4.52 5.75 -100.72 0 5 -2 76 338.388 5
Hi High (pH 8-9.5) 5.01 6.37 -41.55 1 5 -1 78 339.396 4
Hi High (pH 8-9.5) 5.01 5.95 -42.06 1 5 -1 78 339.396 4
Lo Low (pH 4.5-6) 4.52 5.57 -16.65 2 5 0 71 340.404 5

Activity (Go SEA)

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