UCSF

ZINC19851200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 3.53 6.97 -44.51 2 4 0 74 279.295 2
Lo Low (pH 4.5-6) 3.58 6.73 -29.41 2 4 0 70 279.295 1

Vendor Notes

Note Type Comments Provided By
melting_point 3.380000000000000e+002 KeyOrganics KeyOrganics
MP 338° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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