| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 17 | Yes |
Popular Name: (3S)-3-[4-(2-dimethylaminoethyl)piperazin-1-yl]pentan-1-amine (3S)-3-[4-(2-dimethylaminoethyl)…
| 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) | 0.21 | 3.81 | -174.71 | 5 | 4 | 3 | 40 | 245.435 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 1.6 | -34.01 | 3 | 4 | 1 | 37 | 243.419 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 1.98 | -84.73 | 4 | 4 | 2 | 39 | 244.427 | 7 | ↓ |
