| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: (2S)-1-(4-isopropylpiperazin-1-yl)-2-phenyl-propan-2-amine (2S)-1-(4-isopropylpiperazin-1-y…
| 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) | 2.35 | 6.01 | -92.35 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 3.66 | -39.82 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 6.41 | -29.66 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 3.42 | -1.5 | 2 | 3 | 0 | 32 | 261.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
