| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 15 | Yes |
Popular Name: (2S)-N2,3-dimethyl-N2-[(2-methylthiazol-4-yl)methyl]butane-1,2-diamine (2S)-N2,3-dimethyl-N2-[(2-methyl…
| 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) | 0.54 | 1.98 | -38.47 | 3 | 3 | 1 | 44 | 228.385 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 4.15 | -27.37 | 3 | 3 | 1 | 43 | 228.385 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | 3.37 | -111.29 | 4 | 3 | 2 | 45 | 229.393 | 5 | ↓ |
