UCSF

ZINC00157421

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

CAS Number: 656-53-1

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) 1.33 4.58 -7.04 0 3 0 39 185.248 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 116-118?/6mm Alfa-Aesar
Boiling_Point 116-118°/6mm Alfa-Aesar

Activity (Go SEA)

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