UCSF

ZINC20247123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 24 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) 2.65 6.34 -40.69 2 4 1 37 327.448 7
Mid Mid (pH 6-8) 2.65 6.33 -39.69 2 4 1 37 327.448 7
Mid Mid (pH 6-8) 2.65 3.95 -8.02 1 4 0 36 326.44 7

Vendor Notes

Note Type Comments Provided By
melting_point 5.800000000000000e+001 - 6.000000000000000e+001 KeyOrganics
melting_point 58 - 60 KeyOrganics
MP 58-60° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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