In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 16 | Yes |
Popular Name: 4-[3-[(2S)-2-methyl-1-piperidyl]propylamino]butan-1-ol 4-[3-[(2S)-2-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) | 1.20 | 4.87 | -103.66 | 4 | 3 | 2 | 41 | 230.396 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 3.53 | -32.31 | 3 | 3 | 1 | 37 | 229.388 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 2.77 | -40.91 | 3 | 3 | 1 | 40 | 229.388 | 8 | ↓ |