| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: (2S,3R)-2-amino-3-methyl-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]pentanamide (2S,3R)-2-amino-3-methyl-N-[(1S)…
| 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) | 1.18 | 5.06 | -96.92 | 5 | 4 | 2 | 61 | 257.422 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 3.26 | -54.32 | 4 | 4 | 1 | 67 | 256.414 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 4.74 | -40.27 | 4 | 4 | 1 | 60 | 256.414 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 2.91 | -27.97 | 3 | 4 | 0 | 66 | 255.406 | 6 | ↓ |
