UCSF

ZINC59110259

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 22 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) 2.31 7.99 -8.63 1 6 0 73 298.346 3
Hi High (pH 8-9.5) 2.77 5.53 -52.32 0 6 -1 76 297.338 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.