| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: [(3S)-3-(4-ethyl-4-methyl-1-piperidyl)-1-isopropyl-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) | 1.94 | 4.44 | -28.88 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 2.59 | -0.37 | 2 | 3 | 0 | 32 | 267.461 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 5.47 | -107.94 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 4.82 | -122.67 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 2.93 | -43.09 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 7.2 | -228.64 | 5 | 3 | 3 | 37 | 270.485 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 6.83 | -98.5 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
