UCSF

ZINC00089361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.95 5.92 -100.03 8 5 2 101 213.672 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 231-234? Alfa-Aesar
Melting_Point 231-234° Alfa-Aesar

Activity (Go SEA)

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