UCSF

ZINC24926864

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 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) 2.52 3.47 -12.52 3 6 0 87 318.336 2
Hi High (pH 8-9.5) 2.98 2.66 -48.99 2 6 -1 90 317.328 2

Activity (Go SEA)

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

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