UCSF

ZINC13122595

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) 4.01 6.35 -26.13 1 4 0 63 317.288 5
Mid Mid (pH 6-8) 4.01 5.32 -58.29 0 4 -1 62 316.28 5

Vendor Notes

Note Type Comments Provided By
melting_point 1.080000000000000e+002 - 1.100000000000000e+002 KeyOrganics
melting_point 108 - 110 KeyOrganics
MP 108-110° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.