| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 21 | Yes |
Popular Name: 4-[[(3S)-3-pyrrolidin-1-yl-1-piperidyl]methyl]benzamide 4-[[(3S)-3-pyrrolidin-1-yl-1-pip…
| 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) | 1.38 | 7.18 | -121.28 | 4 | 4 | 2 | 52 | 289.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 4.77 | -45.69 | 3 | 4 | 1 | 51 | 288.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 2.52 | -8.22 | 2 | 4 | 0 | 50 | 287.407 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 4.93 | -41.45 | 3 | 4 | 1 | 51 | 288.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
