| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: (1S)-1-(4-ethoxyphenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (1S)-1-(4-ethoxyphenyl)-N'-methy…
| 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) | -0.33 | 4.52 | -51.27 | 3 | 5 | 1 | 58 | 289.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.33 | 3.71 | -7.52 | 2 | 5 | 0 | 56 | 288.395 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.33 | 6.02 | -41.11 | 3 | 5 | 1 | 58 | 289.403 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.33 | 6.4 | -141.11 | 4 | 5 | 2 | 59 | 290.411 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
