| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (2S)-2-amino-4-methyl-1-[4-(2-pyridylmethyl)piperazin-1-yl]pentan-1-one (2S)-2-amino-4-methyl-1-[4-(2-py…
| 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) | 0.30 | 3.05 | -45.97 | 3 | 5 | 1 | 64 | 291.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 2.8 | -8.18 | 2 | 5 | 0 | 62 | 290.411 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.30 | 3.78 | -86.06 | 4 | 5 | 2 | 65 | 292.427 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.30 | 5.27 | -103.88 | 4 | 5 | 2 | 65 | 292.427 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | 6.03 | -188.16 | 5 | 5 | 3 | 67 | 293.435 | 5 | ↓ |
