UCSF

ZINC20231223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 Yes

CAS Number: 596-27-0

Other Names:

MFCD00005912

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) 5.53 7.3 -17.68 2 4 0 67 346.382 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 223-225? Alfa-Aesar
Melting_Point 223-225° Alfa-Aesar

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.