| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 21 | Yes |
Popular Name: (3R)-3-[(4-isobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (3R)-3-[(4-isobutylpiperazin-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) | 2.52 | 7.52 | -35.26 | 2 | 3 | 1 | 20 | 288.459 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 7.04 | -32.42 | 2 | 3 | 1 | 20 | 288.459 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | 8.7 | -126.58 | 3 | 3 | 2 | 24 | 289.467 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
