UCSF

ZINC62980193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 16 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) 1.07 4.41 -82 3 3 2 24 227.396 4
Hi High (pH 8-9.5) 1.07 2.22 -37.52 2 3 1 23 226.388 4
Lo Low (pH 4.5-6) 1.07 6.76 -185.35 4 3 3 25 228.404 4

Activity (Go SEA)

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

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