UCSF

ZINC14989464

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) 2.41 5.82 -10.19 0 3 0 46 155.128 1

Vendor Notes

Note Type Comments Provided By
BP 110-111° Matrix Scientific
BP 111 / 12 TCI
Boiling_Point 111?/12mm Alfa-Aesar
Melting_Point 12/19/2013 12:00:00 AM Alfa-Aesar
Melting_Point 12/19/2014 12:00:00 AM Alfa-Aesar
MP 18-19° Matrix Scientific
MP 19 TCI
MP 19 - 21 Enamine Building Blocks
MP 19...21 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific

Activity (Go SEA)

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

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