| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: (2S)-N2-methyl-4-methylsulfanyl-N2-[[(2R)-tetrahydropyran-2-yl]methyl]butane-1,2-diamine (2S)-N2-methyl-4-methylsulfanyl-…
| 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) | 0.81 | 3.05 | -47.74 | 3 | 3 | 1 | 40 | 247.428 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 2.71 | -3.06 | 2 | 3 | 0 | 38 | 246.42 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.57 | -31.56 | 3 | 3 | 1 | 40 | 247.428 | 7 | ↓ |
