UCSF

ZINC54965427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 No

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) 0.35 8.55 -32.71 1 6 0 74 298.383 5
Hi High (pH 8-9.5) 0.35 7.3 -50.29 0 6 -1 73 297.375 5

Activity (Go SEA)

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

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