UCSF

ZINC19885162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.72 7.98 -61 1 6 1 60 325.392 5
Hi High (pH 8-9.5) 0.72 5.5 -20.59 0 6 0 59 324.384 5
Lo Low (pH 4.5-6) 0.72 8.37 -108.46 2 6 2 61 326.4 5
Lo Low (pH 4.5-6) 0.72 5.9 -45.31 1 6 1 60 325.392 5

Activity (Go SEA)

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