| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: [4-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]phenyl]methanamine [4-[[(3S)-3-(1-piperidyl)pyrroli…
| 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) | 1.98 | 8.6 | -173.71 | 5 | 3 | 3 | 37 | 276.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 6.04 | -35.56 | 3 | 3 | 1 | 34 | 274.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 3.99 | -43.75 | 3 | 3 | 1 | 34 | 274.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 6.44 | -90.41 | 4 | 3 | 2 | 35 | 275.44 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 6.15 | -82.43 | 4 | 3 | 2 | 35 | 275.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
