| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2011 | 15 | Yes |
Popular Name: (2S)-2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]propan-1-ol (2S)-2-[3-(3,5-dimethyl-1,2,4-tr…
| 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) | -0.61 | 2.44 | -45.58 | 3 | 5 | 1 | 68 | 213.305 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.61 | 1.22 | -10.27 | 2 | 5 | 0 | 63 | 212.297 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.61 | 2.88 | -88.36 | 4 | 5 | 2 | 69 | 214.313 | 6 | ↓ |
