| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 20 | Yes |
Popular Name: (2S)-2-amino-3-(4-isopropylpiperazin-1-yl)-2-phenyl-propan-1-ol (2S)-2-amino-3-(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) | 1.34 | 2.89 | -95.18 | 5 | 4 | 2 | 56 | 279.428 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 2.71 | -30.27 | 4 | 4 | 1 | 54 | 278.42 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 0.68 | -43.05 | 4 | 4 | 1 | 54 | 278.42 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 1.08 | -3.78 | 3 | 4 | 0 | 53 | 277.412 | 5 | ↓ |
