UCSF

ZINC01615338

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 29 Yes

CAS Numbers: 2083-09-2 , 9/2/2083 12:00:00 AM

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) 7.66 13.6 -8.75 0 2 0 26 373.455 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 238-240? Alfa-Aesar
Melting_Point 238-240° Alfa-Aesar

Activity (Go SEA)

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