| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2011 | 20 | No |
Popular Name: N-[(4-chloro-3-nitro-phenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine N-[(4-chloro-3-nitro-phenyl)meth…
| 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) | 2.86 | 7.69 | -43.43 | 2 | 5 | 1 | 62 | 298.794 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 5.38 | -7.93 | 1 | 5 | 0 | 61 | 297.786 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 8.99 | -137.33 | 3 | 5 | 2 | 67 | 299.802 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 6.67 | -60.24 | 2 | 5 | 1 | 66 | 298.794 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.