UCSF

ZINC21992187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 23 No

CAS Number: 480-19-3

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) 1.79 -1.06 -21.36 4 7 0 120 316.265 2
Hi High (pH 8-9.5) 1.79 -0.12 -45.61 3 7 -1 123 315.257 2

Vendor Notes

Note Type Comments Provided By
Purity ¡Ý99.0% ( HPLC ) APIChem

Activity (Go SEA)

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

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