| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 15 | Yes |
Popular Name: N-(4-Pyridinylmethyl)-2-pyrrolidinecarboxamide hydrochloride N-(4-Pyridinylmethyl)-2-pyrrolid…
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CAS Numbers: 1236262-54-6 , N/A
N-(4-Pyridinylmethyl)-2-pyrrolidinecarboxamidehydrochloride
N-(Pyridin-4-ylmethyl)pyrrolidine-2-carboxamide hydrochloride
| 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) | -0.30 | 2 | -42.03 | 3 | 4 | 1 | 59 | 206.269 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | 0.64 | -8.08 | 2 | 4 | 0 | 54 | 205.261 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.30 | 2.43 | -89.06 | 4 | 4 | 2 | 60 | 207.277 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
