| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 13 | Yes |
Popular Name: (2S)-2-[[(1S)-1-methylpropyl]amino]-N-prop-2-ynyl-propanamide (2S)-2-[[(1S)-1-methylpropyl]ami…
| 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) | 0.90 | 3.16 | -34.24 | 3 | 3 | 1 | 46 | 183.275 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 2.15 | -7.12 | 2 | 3 | 0 | 41 | 182.267 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 0.7 | -29.15 | 2 | 3 | 0 | 52 | 182.267 | 5 | ↓ |
