In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-1-(4-ethoxy-1-piperidyl)propan-2-amine (1R,2R)-1-(5-bromo-2-thienyl)-1-…
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) | 1.98 | 4.34 | -45.52 | 3 | 3 | 1 | 40 | 348.33 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 4.03 | -1.95 | 2 | 3 | 0 | 38 | 347.322 | 5 | ↓ |