In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 28 | Yes |
Popular Name: N-[[(3S)-1-cyclopentyl-3-piperidyl]methyl]-2-(1-piperidyl)-N-(2-pyridylmethyl)ethanamine N-[[(3S)-1-cyclopentyl-3-piperid…
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) | 3.71 | 13.07 | -88.65 | 2 | 4 | 2 | 25 | 386.628 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 12.78 | -107.62 | 2 | 4 | 2 | 25 | 386.628 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 10.57 | -35.53 | 1 | 4 | 1 | 24 | 385.62 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.71 | 13.39 | -172.04 | 3 | 4 | 3 | 26 | 387.636 | 8 | ↓ |