UCSF

ZINC37820794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.83 1.13 -48.77 4 6 1 86 258.342 5
Hi High (pH 8-9.5) 1.83 0.82 -11.09 3 6 0 85 257.334 5

Activity (Go SEA)

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