| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (2S)-2-methyl-2-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]butan-1-amine (2S)-2-methyl-2-[[(3S)-3-(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) | 1.70 | 5.52 | -89.32 | 4 | 3 | 2 | 35 | 255.45 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 3.28 | -41.72 | 3 | 3 | 1 | 34 | 254.442 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 7.34 | -199.71 | 5 | 3 | 3 | 37 | 256.458 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
