UCSF

ZINC37827245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.09 5.58 -41.34 3 4 1 57 277.388 6
Hi High (pH 8-9.5) -0.09 5.22 -8.13 2 4 0 56 276.38 6

Activity (Go SEA)

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