UCSF

ZINC22718292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 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) 5.45 16.16 -15.16 1 4 0 40 481.452 9
Hi High (pH 8-9.5) 5.49 16.16 -15.16 1 4 0 42 481.452 8
Hi High (pH 8-9.5) 5.49 15.87 -41.79 0 4 -1 40 480.444 8

Activity (Go SEA)

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

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