UCSF

ZINC19582804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 25 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) 1.67 7.56 -73.22 1 6 0 78 340.379 6
Hi High (pH 8-9.5) 1.67 5.03 -60.13 0 6 -1 77 339.371 6
Lo Low (pH 4.5-6) 1.67 6.73 -50.02 2 6 1 75 341.387 6

Activity (Go SEA)

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