In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 19 | Yes |
Popular Name: 4-(aminomethyl)-1-ethyl-N-methyl-N-(4-pyridylmethyl)piperidin-4-amine 4-(aminomethyl)-1-ethyl-N-methyl…
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) | 0.12 | 3.5 | -132.88 | 4 | 4 | 2 | 48 | 264.417 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 3.52 | -37.74 | 3 | 4 | 1 | 47 | 263.409 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 3.88 | -112.7 | 4 | 4 | 2 | 48 | 264.417 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.12 | 1.65 | -45.43 | 3 | 4 | 1 | 47 | 263.409 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.12 | 4.34 | -170.69 | 5 | 4 | 3 | 49 | 265.425 | 5 | ↓ |