UCSF

ZINC42322410

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) 1.27 4.2 -43.64 2 3 1 29 207.297 3
Hi High (pH 8-9.5) 1.27 2.9 -4.6 1 3 0 24 206.289 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 150?/0.5mm Alfa-Aesar
Boiling_Point 150°/0.5mm Alfa-Aesar

Activity (Go SEA)

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

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