UCSF

ZINC62814293

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 17 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) 1.33 3.23 -45.12 3 4 1 49 240.371 1
Hi High (pH 8-9.5) 1.33 1.96 -6.9 2 4 0 44 239.363 1

Activity (Go SEA)

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

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