In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 28 | Yes |
Popular Name: N-[[(3S)-1-cyclopentyl-3-piperidyl]methyl]-2-(1-piperidyl)-N-(4-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) | 3.59 | 12.4 | -88.12 | 2 | 4 | 2 | 25 | 386.628 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.59 | 11.99 | -111.12 | 2 | 4 | 2 | 25 | 386.628 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.59 | 9.83 | -41.79 | 1 | 4 | 1 | 24 | 385.62 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.59 | 12.86 | -164.74 | 3 | 4 | 3 | 26 | 387.636 | 8 | ↓ |