In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1R,2R)-N2-(1-ethyl-4-piperidyl)-N2-methyl-N1-propyl-cyclopentane-1,2-diamine (1R,2R)-N2-(1-ethyl-4-piperidyl)…
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) | 2.68 | 7.12 | -84.32 | 3 | 3 | 2 | 24 | 269.477 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 7.09 | -110.55 | 3 | 3 | 2 | 24 | 269.477 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 6.06 | -33.24 | 2 | 3 | 1 | 20 | 268.469 | 6 | ↓ |