| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: [(3S)-3-(4-ethyl-4-methyl-1-piperidyl)-1-methyl-pyrrolidin-3-yl]methanamine [(3S)-3-(4-ethyl-4-methyl-1-pipe…
| 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) | 1.26 | 3.41 | -34.6 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 1.25 | -0.62 | 2 | 3 | 0 | 32 | 239.407 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 2.92 | -26.51 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 3.38 | -120.64 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 1.61 | -42.48 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 6.01 | -225.09 | 5 | 3 | 3 | 37 | 242.431 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
