UCSF

ZINC00120615

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 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) -0.16 6.03 -48.56 0 4 -1 66 197.21 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 198-202? Alfa-Aesar
Melting_Point 198-202° Alfa-Aesar

Activity (Go SEA)

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

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