UCSF

ZINC00153702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 18 No

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) 3.64 1.77 -50.04 0 3 -1 49 239.25 4

Vendor Notes

Note Type Comments Provided By
melting_point 1.140000000000000e+002 - 1.150000000000000e+002 KeyOrganics
melting_point 114 - 115 KeyOrganics
MP 114-115° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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