| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | Yes |
Popular Name: (1S)-N-methyl-1-(4-propoxyphenyl)-N-tetrahydropyran-4-yl-ethane-1,2-diamine (1S)-N-methyl-1-(4-propoxyphenyl…
| 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) | 2.04 | 4.32 | -52.8 | 3 | 4 | 1 | 49 | 293.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 5.06 | -129.14 | 4 | 4 | 2 | 51 | 294.439 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
