UCSF

ZINC22763243

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 20 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) -0.09 1.61 -44.98 1 8 -1 108 269.244 3
Lo Low (pH 4.5-6) -0.55 2.43 -17.9 2 8 0 105 270.252 3

Activity (Go SEA)

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

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