| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 26 | Yes |
Popular Name: 5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-(2-pyridylmethyl)amino]methyl]-2-methoxy-phenol 5-[[[(2S)-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) | 2.10 | 6.57 | -46.78 | 2 | 5 | 1 | 50 | 356.49 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 4.63 | -7.76 | 1 | 5 | 0 | 49 | 355.482 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 7.52 | -53.68 | 1 | 5 | 0 | 53 | 355.482 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 6.95 | -35.48 | 2 | 5 | 1 | 50 | 356.49 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7.34 | -108.92 | 3 | 5 | 2 | 51 | 357.498 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.