UCSF

ZINC22743082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 2.62 8.73 -28.5 1 6 0 81 331.397 5
Hi High (pH 8-9.5) 2.80 7.66 -50.46 0 6 -1 88 330.389 5

Activity (Go SEA)

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

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