UCSF

ZINC00403450

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 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) 1.66 4.13 -11.93 0 2 0 47 142.161 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-104°C Squarix
Boiling_Point 180-181? Alfa-Aesar
Boiling_Point 180-181° Alfa-Aesar
Boiling_Point n.d. Squarix

Activity (Go SEA)

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

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