UCSF

ZINC69232367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) -0.42 2.61 -94.12 5 6 2 82 279.388 6
Hi High (pH 8-9.5) -0.42 3.04 -33.86 4 6 1 77 278.38 6
Hi High (pH 8-9.5) -0.42 2.57 -12.39 3 6 0 76 277.372 6

Activity (Go SEA)

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

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