| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: (4S)-4-(4-tert-butylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (4S)-4-(4-tert-butylpiperazin-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) | 2.37 | 6.63 | -95.92 | 3 | 3 | 2 | 24 | 275.44 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 3.13 | -2.18 | 1 | 3 | 0 | 19 | 273.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 5.26 | -31.34 | 2 | 3 | 1 | 20 | 274.432 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
