UCSF

ZINC00407040

Annotations

Vendors

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) 1.94 3.18 -3.78 2 1 0 26 125.146 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.17e+01 g/l DrugBank-experimental
BP 205 TCI
Boiling_Point 205? Alfa-Aesar
Boiling_Point 205° Alfa-Aesar
Melting_Point 7? Alfa-Aesar
Melting_Point Alfa-Aesar
BP 89-91°/15mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
Purity 99% Matrix Scientific
Warnings IRRITANT, TOXIC Matrix Scientific
Warnings Toxic/Irritant Matrix Scientific

Activity (Go SEA)

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

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