UCSF

ZINC63009936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 19 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) 1.83 4.22 -81.78 4 5 0 97 266.272 4
Hi High (pH 8-9.5) 1.83 3.94 -46.85 3 5 -1 95 265.264 4

Activity (Go SEA)

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

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