UCSF

ZINC69898150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 15 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) 0.49 -0.08 -36.56 3 6 0 90 211.269 2
Hi High (pH 8-9.5) 0.49 -0.06 -35.65 2 6 -1 88 210.261 2
Lo Low (pH 4.5-6) 0.49 -0.07 -41.54 4 6 1 91 212.277 2

Activity (Go SEA)

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

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