| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 20 | Yes |
Popular Name: (2S)-2-amino-1-(4-isopropylpiperazin-1-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(4-isopropylpiper…
| 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) | 1.67 | 3.54 | -6.04 | 2 | 4 | 0 | 50 | 275.396 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 3.7 | -45.99 | 3 | 4 | 1 | 51 | 276.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 5.91 | -38.06 | 3 | 4 | 1 | 51 | 276.404 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 6.07 | -102.83 | 4 | 4 | 2 | 52 | 277.412 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
