| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 21 | Yes |
Popular Name: (1S)-N,N-diethyl-1-phenyl-N'-(pyrazin-2-ylmethyl)ethane-1,2-diamine (1S)-N,N-diethyl-1-phenyl-N'-(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) | 2.39 | 4.23 | -4.68 | 1 | 4 | 0 | 41 | 284.407 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 5.63 | -33.33 | 2 | 4 | 1 | 42 | 285.415 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 5.58 | -41.82 | 2 | 4 | 1 | 46 | 285.415 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 7.01 | -119.77 | 3 | 4 | 2 | 47 | 286.423 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
