UCSF

ZINC43476733

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 3.34 5.25 -52.23 3 3 1 46 278.759 5
Hi High (pH 8-9.5) 3.34 6.01 -65.74 2 3 0 49 277.751 5
Hi High (pH 8-9.5) 3.34 3.89 -6.9 2 3 0 41 277.751 5

Activity (Go SEA)

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