| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (1S)-N-ethyl-3-(4-methylpiperazin-1-yl)-1-phenyl-propan-1-amine (1S)-N-ethyl-3-(4-methylpiperazi…
| 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) | 1.34 | 6.21 | -36.98 | 2 | 3 | 1 | 20 | 262.421 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 7.34 | -89.65 | 3 | 3 | 2 | 24 | 263.429 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 4.96 | -38.47 | 2 | 3 | 1 | 23 | 262.421 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 7.21 | -113.12 | 3 | 3 | 2 | 24 | 263.429 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
