| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 14 | Yes |
Popular Name: (1S,3R)-3-[(2R)-2-ethyl-1-piperidyl]cyclopentanamine (1S,3R)-3-[(2R)-2-ethyl-1-piperi…
| 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) | 1.64 | 5.26 | -100.53 | 4 | 2 | 2 | 32 | 198.354 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 4.98 | -27.94 | 3 | 2 | 1 | 30 | 197.346 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 3.22 | -42.26 | 3 | 2 | 1 | 31 | 197.346 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
