UCSF

ZINC00158962

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 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) 3.19 1.63 -4.06 0 1 0 4 222.085 1

Vendor Notes

Note Type Comments Provided By
melting_point 6.100000000000000e+001 - 6.300000000000000e+001 KeyOrganics
melting_point 61 - 63 KeyOrganics
MP 61-63° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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