UCSF

ZINC84845398

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 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) 2.95 6.62 -5.39 0 2 0 22 199.253 3
Lo Low (pH 4.5-6) 2.95 7.08 -33.22 1 2 1 23 200.261 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 114-116?/1mm Alfa-Aesar
Boiling_Point 114-116°/1mm Alfa-Aesar

Activity (Go SEA)

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

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