UCSF

ZINC23281731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 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) 2.75 4.56 -36.87 2 3 1 28 269.796 3
Lo Low (pH 4.5-6) 2.75 7.03 -101.49 3 3 2 29 270.804 3

Activity (Go SEA)

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