In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 20 | Yes |
Popular Name: [2-(4-ethyl-4-methyl-1-piperidyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(4-ethyl-4-methyl-1-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) | 3.05 | 8.02 | -101.07 | 4 | 3 | 2 | 45 | 275.44 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 7.6 | -49.55 | 3 | 3 | 1 | 44 | 274.432 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 7.59 | -22.38 | 3 | 3 | 1 | 43 | 274.432 | 3 | ↓ |