| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: [(3S)-3-(4,4-diethyl-1-piperidyl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-(4,4-diethyl-1-piperidyl…
| 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) | 2.27 | 4.88 | -30.34 | 3 | 3 | 1 | 34 | 282.496 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 2.58 | -0.48 | 2 | 3 | 0 | 32 | 281.488 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.82 | -106.63 | 4 | 3 | 2 | 35 | 283.504 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 7.2 | -99.92 | 4 | 3 | 2 | 35 | 283.504 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 3.31 | -41.11 | 3 | 3 | 1 | 34 | 282.496 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.22 | -122.24 | 4 | 3 | 2 | 35 | 283.504 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 7.69 | -230.95 | 5 | 3 | 3 | 37 | 284.512 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
