| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 17 | Yes |
Popular Name: (3S)-3-amino-4-oxo-4-(4-prop-2-ynylpiperazin-1-yl)butanamide (3S)-3-amino-4-oxo-4-(4-prop-2-y…
| 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) | -1.20 | -2.65 | -41.19 | 5 | 6 | 1 | 94 | 239.299 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.20 | -2.99 | -12.42 | 4 | 6 | 0 | 93 | 238.291 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.20 | -0.4 | -100.47 | 6 | 6 | 2 | 95 | 240.307 | 4 | ↓ |
