| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 16 | Yes |
Popular Name: (2S)-2-amino-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-methyl-butanamide (2S)-2-amino-N-[(1S,8R)-2,3,5,6,…
| 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) | -0.06 | 3.18 | -91.07 | 5 | 4 | 2 | 61 | 227.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 0.88 | -59.28 | 4 | 4 | 1 | 67 | 226.344 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 0.5 | -41.87 | 3 | 4 | 0 | 66 | 225.336 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 2.84 | -39.15 | 4 | 4 | 1 | 60 | 226.344 | 3 | ↓ |
