| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 25 | Yes |
Popular Name: (1S)-1-(4-pyridylmethyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline (1S)-1-(4-pyridylmethyl)-2-(2-th…
| 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) | 3.29 | 8.39 | -12.94 | 0 | 4 | 0 | 50 | 370.499 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 8.83 | -36.27 | 1 | 4 | 1 | 52 | 371.507 | 4 | ↓ |
