| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: [1-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-3-isoquinolyl]methanol [1-[methyl-[[(2S)-tetrahydrofura…
| 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) | 2.44 | 6.07 | -21.86 | 2 | 4 | 1 | 47 | 273.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 5.6 | -9.46 | 1 | 4 | 0 | 46 | 272.348 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
