UCSF

ZINC22709902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 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) 7.25 13.14 -12.1 1 5 0 60 473.791 6
Hi High (pH 8-9.5) 7.32 12.31 -42.32 0 5 -1 66 472.783 6

Activity (Go SEA)

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

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