| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: [(3S)-3-(4,4-diethyl-1-piperidyl)-1-methyl-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) | 1.60 | 3.84 | -34.62 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 1.73 | -0.6 | 2 | 3 | 0 | 32 | 253.434 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 3.87 | -121.99 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 2.09 | -42.74 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 3.39 | -26.96 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 6.46 | -227.57 | 5 | 3 | 3 | 37 | 256.458 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
