| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[4-[(2S)-3-amino-2-methyl-propyl]piperazin-1-yl]-N-butyl-propanamide (2S)-2-[4-[(2S)-3-amino-2-methyl…
| 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) | 0.66 | 3.32 | -91.13 | 5 | 5 | 2 | 64 | 286.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 0.77 | -7.91 | 3 | 5 | 0 | 62 | 284.448 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 2.98 | -104.81 | 5 | 5 | 2 | 64 | 286.464 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 1.15 | -46.35 | 4 | 5 | 1 | 63 | 285.456 | 8 | ↓ |
