UCSF

ZINC50065063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) -1.02 2.72 -53.82 2 6 1 77 229.256 6
Hi High (pH 8-9.5) -1.02 0.19 -11.34 1 6 0 76 228.248 6
Hi High (pH 8-9.5) -0.83 -2.36 -42.51 0 6 -1 82 227.24 6
Mid Mid (pH 6-8) -0.83 0.16 -47.1 1 6 0 83 228.248 6

Activity (Go SEA)

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

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