| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 24 | Yes |
Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-fluorophenyl)methyl]-N-(4-pyridylmethyl)methanamine 1-[(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) | 2.76 | 8.8 | -31.42 | 1 | 3 | 1 | 21 | 328.455 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 6.91 | -6.43 | 0 | 3 | 0 | 19 | 327.447 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 10.66 | -34.73 | 1 | 3 | 1 | 21 | 328.455 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 11.1 | -88.1 | 2 | 3 | 2 | 22 | 329.463 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.