UCSF

ZINC04977504

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 17 Yes

CAS Number: 63096-02-6

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) 4.43 1.76 -5.32 1 5 0 64 245.319 7

Vendor Notes

Note Type Comments Provided By
Boiling_Point 205? Alfa-Aesar

Activity (Go SEA)

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

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