| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[4-(o-tolylmethyl)piperazin-1-yl]pentan-1-amine (3S)-3-[4-(o-tolylmethyl)piperaz…
| 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) | 1.97 | 6.46 | -111.86 | 4 | 3 | 2 | 35 | 277.456 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 4.24 | -1.84 | 2 | 3 | 0 | 32 | 275.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 6.56 | -94.89 | 4 | 3 | 2 | 35 | 277.456 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 4.62 | -42.16 | 3 | 3 | 1 | 34 | 276.448 | 6 | ↓ |
