| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: (2S)-2-amino-1-(4-methylpiperazin-1-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(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) | 0.99 | 2.3 | -5.99 | 2 | 4 | 0 | 50 | 247.342 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 2.51 | -44.76 | 3 | 4 | 1 | 51 | 248.35 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 4.66 | -42.4 | 3 | 4 | 1 | 51 | 248.35 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 4.86 | -108.41 | 4 | 4 | 2 | 52 | 249.358 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
