UCSF

ZINC12359508

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) 1.90 3.95 -3.14 0 1 0 13 172.025 0
Lo Low (pH 4.5-6) 1.90 4.22 -30.89 1 1 1 14 173.033 0

Vendor Notes

Note Type Comments Provided By
BP 195° Oakwood Chemical
MP 26-27° Oakwood Chemical
BP 76 / 14 TCI
Boiling_Point 76?/14mm Alfa-Aesar
Boiling_Point 76°/14mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant-Harmful/Refrigerate/Stored under Argon/Light Sensitive Matrix Scientific

Activity (Go SEA)

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

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