| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2013 | 23 | Yes |
Popular Name: 2-(3,4-Dichlorophenyl)-1-(2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone hydrochloride 2-(3,4-Dichlorophenyl)-1-(2-(pyr…
Find On: PubMed — Wikipedia — Google
CAS Number: [130497-33-5]
| 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) | 4.10 | 10.23 | -42.56 | 1 | 3 | 1 | 25 | 356.317 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 8.19 | -4.64 | 0 | 3 | 0 | 24 | 355.309 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 6.92 | -19.36 | 3 | 9 | 0 | 114 | 439.785 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.