UCSF

ZINC00156841

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 No

CAS Number: 621-44-3

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) -1.56 -2.46 -75.69 3 7 -1 136 225.18 4

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 230? dec. Alfa-Aesar
Melting_Point ca 230° dec. Alfa-Aesar

Activity (Go SEA)

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