UCSF

ZINC19361512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 8 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) 0.40 -0.04 -33.44 3 2 1 29 115.2 0
Hi High (pH 8-9.5) 0.40 -1.32 -1.03 2 2 0 24 114.192 0
Lo Low (pH 4.5-6) 0.40 1.22 -106.4 4 2 2 33 116.208 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 81-90? Alfa-Aesar
Melting_Point 81-90° Alfa-Aesar
MP 82-88° Matrix Scientific
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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