In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 25 | Yes |
Popular Name: 1-(4-methoxyphenyl)-4-[(3S)-3-pyrrolidin-1-yl-1-piperidyl]piperidine 1-(4-methoxyphenyl)-4-[(3S)-3-py…
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) | 3.34 | 7.64 | -39.13 | 1 | 4 | 1 | 20 | 344.523 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 6.54 | -4.4 | 0 | 4 | 0 | 19 | 343.515 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 7.79 | -35.65 | 1 | 4 | 1 | 20 | 344.523 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 9.63 | -83.3 | 2 | 4 | 2 | 21 | 345.531 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 11.14 | -111.68 | 2 | 4 | 2 | 21 | 345.531 | 4 | ↓ |