| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 21 | Yes |
Popular Name: (2S)-2-amino-1-(4-isobutylpiperazin-1-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(4-isobutylpipera…
| 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) | 2.12 | 6.7 | -41.11 | 3 | 4 | 1 | 51 | 290.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 4.84 | -5.58 | 2 | 4 | 0 | 50 | 289.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 6.95 | -110.39 | 4 | 4 | 2 | 52 | 291.439 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
