UCSF

ZINC22740679

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 18 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) -0.46 -3.13 -44 1 7 -1 112 270.29 2
Lo Low (pH 4.5-6) -0.92 -2.3 -18.38 2 7 0 109 271.298 2

Activity (Go SEA)

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

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