| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | Yes |
Popular Name: (1S)-N,N-diethyl-N'-(2-methylpyrimidin-4-yl)-1-phenyl-ethane-1,2-diamine (1S)-N,N-diethyl-N'-(2-methylpyr…
| 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) | 2.44 | 8.48 | -37.19 | 2 | 4 | 1 | 42 | 285.415 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 6.79 | -5.49 | 1 | 4 | 0 | 41 | 284.407 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 8.93 | -85.54 | 3 | 4 | 2 | 43 | 286.423 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
