UCSF

ZINC05133089

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 7 Yes

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) 1.40 3.68 -4.23 0 1 0 17 94.113 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 124? Alfa-Aesar
Melting_Point 124° Alfa-Aesar
PUBCHEM_PATENT_ID US4361515; US4438277 IBM Patent Data

Activity (Go SEA)

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

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