In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2008 | 35 | Yes |
Popular Name: 1-[1-[8-methyl-3-[[[(2S)-2-phenylpropyl]amino]methyl]-2-quinolyl]-4-piperidyl]piperidin-4-ol 1-[1-[8-methyl-3-[[[(2S)-2-pheny…
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) | 4.32 | 13.9 | -109.74 | 4 | 5 | 2 | 57 | 474.693 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.32 | 10.44 | -8.47 | 2 | 5 | 0 | 52 | 472.677 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 14.28 | -195.81 | 5 | 5 | 3 | 59 | 475.701 | 7 | ↓ |