UCSF

ZINC21787582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 5.82 9.67 -38.57 3 2 1 37 357.356 10
Hi High (pH 8-9.5) 5.82 10.46 -39.77 2 2 0 40 356.348 10

Activity (Go SEA)

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