| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 25 | Yes |
Popular Name: 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]-N-(3-pyridylmethyl)methanamine 1-[(2R)-1-ethylpyrrolidin-2-yl]-…
| 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) | 2.76 | 10.36 | -38.19 | 1 | 4 | 1 | 30 | 340.491 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 6.91 | -5.68 | 0 | 4 | 0 | 29 | 339.483 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 9.34 | -36.18 | 1 | 4 | 1 | 30 | 340.491 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 9.79 | -88.07 | 2 | 4 | 2 | 31 | 341.499 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 10.92 | -116.14 | 2 | 4 | 2 | 31 | 341.499 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.