UCSF

ZINC62844100

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 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) 0.60 8.07 -65.31 1 6 0 82 296.367 4
Hi High (pH 8-9.5) 0.60 5.68 -48.83 0 6 -1 81 295.359 4

Activity (Go SEA)

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

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