UCSF

ZINC71563502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 18 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) 2.28 5.28 -37.15 2 3 1 29 249.378 6
Hi High (pH 8-9.5) 2.28 3.77 -4.07 1 3 0 24 248.37 6
Lo Low (pH 4.5-6) 2.28 7.55 -101.14 3 3 2 30 250.386 6

Activity (Go SEA)

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

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