| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 17 | Yes |
Popular Name: (2R,5R)-2-methyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]piperidine (2R,5R)-2-methyl-5-[(3S)-3-pyrro…
| 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) | 1.40 | 3.88 | -31.67 | 2 | 3 | 1 | 20 | 238.399 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 1.48 | -1.41 | 1 | 3 | 0 | 19 | 237.391 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 2.75 | -34.93 | 2 | 3 | 1 | 23 | 238.399 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 5.16 | -88.01 | 3 | 3 | 2 | 24 | 239.407 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
