UCSF

ZINC04749053

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 27 No

CAS Number: 14806-50-9

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) 1.75 3.12 -23.24 0 4 1 35 359.449 5

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 215? dec. Alfa-Aesar
Melting_Point ca 215° dec. Alfa-Aesar

Activity (Go SEA)

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