UCSF

ZINC23361027

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 24 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) 2.96 6.92 -18.6 2 6 0 84 366.874 7
Hi High (pH 8-9.5) 3.15 5.85 -44.52 1 6 -1 90 365.866 7

Activity (Go SEA)

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