| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 18 | Yes |
Popular Name: (2S)-2-[4-[isopropyl(methyl)amino]butylamino]-N-prop-2-ynyl-propanamide (2S)-2-[4-[isopropyl(methyl)amin…
| 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) | 0.94 | 5.87 | -93.97 | 4 | 4 | 2 | 50 | 255.406 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 4.62 | -36.19 | 3 | 4 | 1 | 46 | 254.398 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 3.42 | -73.23 | 3 | 4 | 1 | 56 | 254.398 | 9 | ↓ |
