| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: (3R,4S)-4-methyl-1-(2-pyrrolidin-1-ylethyl)piperidin-3-amine (3R,4S)-4-methyl-1-(2-pyrrolidin…
| 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) | 0.52 | 5.36 | -106.89 | 4 | 3 | 2 | 35 | 213.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 0.68 | -1.43 | 2 | 3 | 0 | 32 | 211.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 3.44 | -88.93 | 4 | 3 | 2 | 35 | 213.369 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.52 | 5.65 | -203.56 | 5 | 3 | 3 | 37 | 214.377 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
