In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2010 | 18 | Yes |
Popular Name: (2R)-1-(cyclopropylamino)-3-[(1-ethyl-4-piperidyl)-methyl-amino]propan-2-ol (2R)-1-(cyclopropylamino)-3-[(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) | 0.64 | 5.75 | -178.73 | 5 | 4 | 3 | 46 | 258.43 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 3.51 | -101.43 | 4 | 4 | 2 | 45 | 257.422 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 2.98 | -84.34 | 4 | 4 | 2 | 45 | 257.422 | 7 | ↓ |