In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 13 | Yes |
Popular Name: 3-[(2S)-2-ethyl-1-piperidyl]-N-methyl-propan-1-amine 3-[(2S)-2-ethyl-1-piperidyl]-N-m…
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) | 2.17 | 6.44 | -97.68 | 3 | 2 | 2 | 21 | 186.343 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 4.29 | -36.74 | 2 | 2 | 1 | 20 | 185.335 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 5 | -30.17 | 2 | 2 | 1 | 16 | 185.335 | 5 | ↓ |