| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 15 | Yes |
Popular Name: (2S)-1-(methylamino)-3-[methyl-[(2-methylthiazol-4-yl)methyl]amino]propan-2-ol (2S)-1-(methylamino)-3-[methyl-[…
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| 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) | -0.23 | 1.73 | -100.35 | 4 | 4 | 2 | 54 | 231.365 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | -0.65 | -40.99 | 3 | 4 | 1 | 53 | 230.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 0.22 | -36.32 | 3 | 4 | 1 | 50 | 230.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | -2.15 | -6.97 | 2 | 4 | 0 | 48 | 229.349 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 2.27 | -46.05 | 3 | 4 | 1 | 57 | 230.357 | 6 | ↓ |
