UCSF

ZINC00978795

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 17 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) 4.33 2.47 -6.22 0 1 0 17 224.303 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 68-72? Alfa-Aesar
Melting_Point 68-72° Alfa-Aesar

Activity (Go SEA)

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