| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2009 | 18 | Yes |
Popular Name: (1S,2R,4R)-4-tert-butyl-2-[(2S)-2-methyl-1-piperidyl]cyclohexanamine (1S,2R,4R)-4-tert-butyl-2-[(2S)-…
| 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) | 3.18 | 7.96 | -117.45 | 4 | 2 | 2 | 32 | 254.462 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 5.47 | -0.15 | 2 | 2 | 0 | 29 | 252.446 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 5.69 | -39.26 | 3 | 2 | 1 | 31 | 253.454 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 7.71 | -27.46 | 3 | 2 | 1 | 30 | 253.454 | 2 | ↓ |
