| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 19 | Yes |
Popular Name: (4-methylpiperazin-1-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone (4-methylpiperazin-1-yl)-[(3S)-1…
| 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) | 0.72 | 4.27 | -41.05 | 2 | 4 | 1 | 40 | 260.361 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 2.92 | -7.92 | 1 | 4 | 0 | 36 | 259.353 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 6.64 | -99.47 | 3 | 4 | 2 | 41 | 261.369 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 5.26 | -46.16 | 2 | 4 | 1 | 37 | 260.361 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
