| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N2-methyl-1-phenyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]propane-1,2-diamine (1S,2S)-N2-methyl-1-phenyl-N2-[[…
| 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) | 0.67 | 4.86 | -36.3 | 3 | 3 | 1 | 40 | 263.405 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 4.46 | -2.33 | 2 | 3 | 0 | 38 | 262.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 6.63 | -116.07 | 4 | 3 | 2 | 41 | 264.413 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
