| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 18 | Yes |
Popular Name: [4-[(2S)-2-methyl-1-piperidyl]-1-propyl-4-piperidyl]methanamine [4-[(2S)-2-methyl-1-piperidyl]-1…
| 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) | 1.75 | 4.21 | -27.35 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 6.42 | -91.61 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 4.59 | -31.78 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 4.53 | -116.19 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 4.83 | -108.91 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 6.75 | -215.02 | 5 | 3 | 3 | 37 | 256.458 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
