| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: [3-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]phenyl]methanamine [3-[[(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) | 1.96 | 8.59 | -188.17 | 5 | 3 | 3 | 37 | 276.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 6.03 | -36.23 | 3 | 3 | 1 | 34 | 274.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 3.98 | -42.21 | 3 | 3 | 1 | 34 | 274.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 6.43 | -98.3 | 4 | 3 | 2 | 35 | 275.44 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 6.14 | -87.56 | 4 | 3 | 2 | 35 | 275.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
