| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 19 | Yes |
Popular Name: (1S)-N-ethyl-N-(m-tolyl)-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-ethyl-N-(m-tolyl)-1-(2-py…
| 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) | 2.06 | 7.52 | -46.12 | 3 | 3 | 1 | 44 | 256.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 6.85 | -5.87 | 2 | 3 | 0 | 42 | 255.365 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 6.79 | -105.74 | 4 | 3 | 2 | 45 | 257.381 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
