| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 21 | Yes |
Popular Name: (2S)-2-[4-[(1R)-3-amino-1-ethyl-propyl]piperazin-1-yl]-N-butyl-propanamide (2S)-2-[4-[(1R)-3-amino-1-ethyl-…
| 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) | 1.05 | 3.06 | -105.33 | 5 | 5 | 2 | 64 | 300.491 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 0.94 | -7.11 | 3 | 5 | 0 | 62 | 298.475 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.31 | -49.97 | 4 | 5 | 1 | 63 | 299.483 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 3.51 | -95.51 | 5 | 5 | 2 | 64 | 300.491 | 9 | ↓ |
