UCSF

ZINC00074838

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) 1.24 3.04 -36.3 3 2 1 37 166.244 3
Hi High (pH 8-9.5) 1.24 2.1 -2.78 2 2 0 32 165.236 3

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.414 Bitter DB
Therapy bronchodilator, cardiac stimulant SMDC MicroSource
Therapy bronchodilator, decongestant SMDC Pharmakon

Activity (Go SEA)

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