| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: (3R)-3-[(4-tert-butylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (3R)-3-[(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) | 2.58 | 6.34 | -29.86 | 2 | 3 | 1 | 20 | 288.459 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 4.2 | -2.25 | 1 | 3 | 0 | 19 | 287.451 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 6.63 | -35.09 | 2 | 3 | 1 | 20 | 288.459 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 8.16 | -95.67 | 3 | 3 | 2 | 24 | 289.467 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 7.81 | -126.96 | 3 | 3 | 2 | 24 | 289.467 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
