| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 19 | Yes |
Popular Name: 2-(4-isopropylpiperazin-1-yl)-N-(3-pyridylmethyl)ethanamine 2-(4-isopropylpiperazin-1-yl)-N-…
| 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) | 0.85 | 5.39 | -96.39 | 3 | 4 | 2 | 37 | 264.417 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 3.17 | -45.19 | 2 | 4 | 1 | 36 | 263.409 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 4.02 | -34.02 | 2 | 4 | 1 | 33 | 263.409 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 1.8 | -4.35 | 1 | 4 | 0 | 31 | 262.401 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
