| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | Yes |
Popular Name: 2-[4-[(1S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]ethyl]phenoxy]acetonitrile 2-[4-[(1S)-1-[[(2S)-1-ethylpyrro…
| 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) | 2.69 | 6.2 | -48.85 | 2 | 4 | 1 | 53 | 288.415 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 7.48 | -40.06 | 2 | 4 | 1 | 49 | 288.415 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 8.53 | -121.94 | 3 | 4 | 2 | 54 | 289.423 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
