UCSF

ZINC16698785

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 13 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) 0.57 5.59 -53.26 0 4 -1 58 175.167 2
Lo Low (pH 4.5-6) 0.57 5.85 -43.68 1 4 0 59 176.175 2

Vendor Notes

Note Type Comments Provided By
melting_point 169 - 170 KeyOrganics
MP 169-170° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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