| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 24 | Yes |
Popular Name: N-[(2-chlorophenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(4-pyridylmethyl)methanamine N-[(2-chlorophenyl)methyl]-1-[(2…
| 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) | 3.28 | 9.7 | -39.51 | 1 | 3 | 1 | 21 | 344.91 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 7.34 | -5.05 | 0 | 3 | 0 | 19 | 343.902 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 9.92 | -37.4 | 1 | 3 | 1 | 21 | 344.91 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.28 | 10.35 | -87.1 | 2 | 3 | 2 | 22 | 345.918 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.