UCSF

ZINC00155923

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 15 Yes

CAS Number: 16652-71-4

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) 1.95 6.51 -36.93 2 3 1 43 206.265 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 146-148? Alfa-Aesar
Melting_Point 146-148° Alfa-Aesar

Activity (Go SEA)

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

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