| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 17 | Yes |
Popular Name: (2S)-N1-butyl-N2-methyl-N2-[(2-methylthiazol-4-yl)methyl]propane-1,2-diamine (2S)-N1-butyl-N2-methyl-N2-[(2-m…
| 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) | 1.83 | 5.22 | -34.92 | 2 | 3 | 1 | 33 | 256.439 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 3.47 | -4.48 | 1 | 3 | 0 | 28 | 255.431 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 7.09 | -110.47 | 3 | 3 | 2 | 34 | 257.447 | 8 | ↓ |
