UCSF

ZINC62566481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 26 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) 3.62 4.96 -16.26 1 5 0 80 478.817 5
Hi High (pH 8-9.5) 3.62 5.02 -47.85 0 5 -1 82 477.809 5

Activity (Go SEA)

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

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