UCSF

ZINC02020517

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 10 No

CAS Numbers: 16118-36-8 , 2491-18-1

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) -0.17 2.35 -46.13 3 3 1 54 164.25 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 151-152? Alfa-Aesar
Melting_Point 151-152° Alfa-Aesar

Activity (Go SEA)

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

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