UCSF

ZINC71603357

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 7 Yes

CAS Number: 1271-51-8

Other Names:

MFCD00001434

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) 2.06 5.21 -1.94 0 0 0 0 92.141 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 52-55? Alfa-Aesar
Melting_Point 52-55° Alfa-Aesar
Boiling_Point 80-85?/0.7mm Alfa-Aesar
Boiling_Point 80-85°/0.7mm Alfa-Aesar

Activity (Go SEA)

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

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