UCSF

ZINC05315703

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 11 Yes

CAS Number: 5369-17-5

Other Names:

MFCD11845947

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) 2.85 -0.13 -2.36 2 1 0 26 149.237 3

Vendor Notes

Note Type Comments Provided By
BP 132-134°/19mm Oakwood Chemical

Activity (Go SEA)

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