In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 21 | Yes |
Popular Name: 2-methyl-1-[4-[[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]amino]-1-piperidyl]propan-1-one 2-methyl-1-[4-[[(1S)-1-[(3S)-1-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) | 2.09 | 8.19 | -110.27 | 3 | 4 | 2 | 41 | 297.487 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 6.89 | -43.36 | 2 | 4 | 1 | 37 | 296.479 | 4 | ↓ |