UCSF

ZINC39106730

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 25 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) -0.37 -2.73 -64.91 5 8 1 142 410.563 6
Hi High (pH 8-9.5) -0.37 -2.25 -82.66 4 8 0 140 409.555 6

Activity (Go SEA)

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