UCSF

ZINC11612310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 15 Yes

CAS Number: 18549-40-1

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) -0.23 -5.62 -8.63 3 6 0 88 220.221 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 159-160? Alfa-Aesar
Melting_Point 159-160° Alfa-Aesar

Activity (Go SEA)

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