UCSF

ZINC19440322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 Yes

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) -0.55 1.54 -55.33 3 5 0 89 277.349 4
Lo Low (pH 4.5-6) -0.55 1.98 -76.01 4 5 1 90 278.357 4
Lo Low (pH 4.5-6) -0.55 1.47 -58.17 4 5 1 87 278.357 4

Activity (Go SEA)

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