UCSF

ZINC00167977

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 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) 3.69 4.33 -10.17 0 2 0 26 234.201 3

Vendor Notes

Note Type Comments Provided By
BP 110-112°/0.2mm Matrix Scientific
melting_point 61 - 64 KeyOrganics
MP 61-64° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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