UCSF

ZINC02511828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 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) 3.65 -0.92 -6.64 1 2 0 29 242.318 6

Vendor Notes

Note Type Comments Provided By
melting_point 5.800000000000000e+001 - 6.100000000000000e+001 KeyOrganics
melting_point 58 - 61 KeyOrganics
MP 58-61° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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