In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N-methyl-2-[4-(1-piperidyl)-1-piperidyl]cyclohexanamine (1S,2S)-N-methyl-2-[4-(1-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) | 2.84 | 6 | -29.55 | 2 | 3 | 1 | 20 | 280.48 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 8.39 | -95.57 | 3 | 3 | 2 | 21 | 281.488 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 7.68 | -85.5 | 3 | 3 | 2 | 24 | 281.488 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.84 | 9.54 | -201.59 | 4 | 3 | 3 | 25 | 282.496 | 3 | ↓ |