| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 18 | Yes |
Popular Name: (3S,4R)-N4-ethyl-N3-methyl-N3-[(1-methylpyrazol-4-yl)methyl]tetrahydropyran-3,4-diamine (3S,4R)-N4-ethyl-N3-methyl-N3-[(…
| 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) | 0.37 | 2.65 | -39.18 | 2 | 5 | 1 | 47 | 253.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 1.54 | -5.85 | 1 | 5 | 0 | 42 | 252.362 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | 3.45 | -38.72 | 2 | 5 | 1 | 44 | 253.37 | 5 | ↓ |
