| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 26 | Yes |
Popular Name: N-[(4-ethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(3-pyridylmethyl)methanamine N-[(4-ethoxyphenyl)methyl]-1-[(2…
| 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) | 3.13 | 8.9 | -46.03 | 1 | 4 | 1 | 30 | 354.518 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 8.39 | -6.43 | 0 | 4 | 0 | 29 | 353.51 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 9.08 | -36.2 | 1 | 4 | 1 | 30 | 354.518 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 11.25 | -87.76 | 2 | 4 | 2 | 31 | 355.526 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.