In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2008 | 27 | Yes |
Popular Name: (3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-pyridylmethyl)piperidin-3-amine (3R)-N-[2-(3,4-dimethoxyphenyl)e…
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) | 2.32 | 8.84 | -47.38 | 1 | 5 | 1 | 39 | 370.517 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 6.4 | -8.61 | 0 | 5 | 0 | 38 | 369.509 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 11.12 | -130.63 | 2 | 5 | 2 | 40 | 371.525 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.32 | 8.87 | -51.6 | 1 | 5 | 1 | 39 | 370.517 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.32 | 9.31 | -94.22 | 2 | 5 | 2 | 40 | 371.525 | 8 | ↓ |