| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | No |
Popular Name: (1S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-nitrophenyl)ethanamine (1S)-N-[[(2S)-1-ethylpyrrolidin-…
| 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) | 2.81 | 8.19 | -42.39 | 2 | 5 | 1 | 62 | 278.376 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 6.91 | -55.52 | 2 | 5 | 1 | 66 | 278.376 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
