| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | Yes |
Popular Name: (1S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2,3,4-trichlorophenyl)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) | 4.74 | 7.58 | -47.67 | 2 | 2 | 1 | 20 | 336.714 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.74 | 6.67 | -2.91 | 1 | 2 | 0 | 15 | 335.706 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.74 | 9.9 | -123.33 | 3 | 2 | 2 | 21 | 337.722 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.74 | 8.99 | -37.29 | 2 | 2 | 1 | 16 | 336.714 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
