| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 14 | Yes |
Popular Name: (2S)-1-amino-3-[methyl-[(2-methylthiazol-4-yl)methyl]amino]propan-2-ol (2S)-1-amino-3-[methyl-[(2-methy…
None
| 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) | -1.22 | -0.15 | -104.33 | 5 | 4 | 2 | 65 | 217.338 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.22 | -3 | -7.35 | 3 | 4 | 0 | 62 | 215.322 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.22 | -2.53 | -45.83 | 4 | 4 | 1 | 64 | 216.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.22 | -0.62 | -35.95 | 4 | 4 | 1 | 64 | 216.33 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.22 | 0.4 | -49.49 | 4 | 4 | 1 | 68 | 216.33 | 5 | ↓ |
