UCSF

ZINC67742261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 2.48 6.51 -48.35 3 4 1 63 318.828 4
Hi High (pH 8-9.5) 2.48 6.09 -9.33 2 4 0 61 317.82 4

Activity (Go SEA)

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

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