UCSF

ZINC69879901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 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) -0.62 5.7 -40.2 2 7 1 77 290.347 4
Hi High (pH 8-9.5) -0.62 5.23 -14.35 1 7 0 76 289.339 4
Lo Low (pH 4.5-6) -0.62 7.45 -50.61 2 7 1 77 290.347 4

Activity (Go SEA)

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

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