UCSF

ZINC95817384

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2014 6 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) 2.03 4.68 -1.67 0 0 0 0 80.13 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 34-36? Alfa-Aesar
Melting_Point 34-36° Alfa-Aesar
Boiling_Point 85-90?/1mm Alfa-Aesar
Boiling_Point 85-90°/1mm Alfa-Aesar

Activity (Go SEA)

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

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