UCSF

ZINC09231861

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 13 Yes

CAS Number: 6284-40-8

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) -2.68 -11.59 -43.54 7 6 1 117 196.223 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 128-131? Alfa-Aesar
Melting_Point 128-131° Alfa-Aesar

Activity (Go SEA)

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