| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: (1R)-1-(4-methoxyphenyl)-N'-methyl-N'-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine (1R)-1-(4-methoxyphenyl)-N'-meth…
| 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) | 0.39 | 3.92 | -40.89 | 3 | 4 | 1 | 49 | 279.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 3.49 | -4.09 | 2 | 4 | 0 | 48 | 278.396 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | 5.96 | -127.9 | 4 | 4 | 2 | 51 | 280.412 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
