| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 20 | Yes |
Popular Name: (1S)-N'-ethyl-N-methyl-1-phenyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine (1S)-N'-ethyl-N-methyl-1-phenyl-…
| 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) | 2.61 | 8.99 | -29.79 | 2 | 3 | 1 | 26 | 277.432 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 6.73 | -2.87 | 1 | 3 | 0 | 24 | 276.424 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 6.85 | -41.28 | 2 | 3 | 1 | 29 | 277.432 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 8.92 | -112.05 | 3 | 3 | 2 | 30 | 278.44 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
