| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 20 | Yes |
Popular Name: (3S)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-propyl-3H-1,2,4-triazol-5-one (3S)-3-(3,4-dihydro-1H-isoquinol…
| 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) | 1.28 | 8.61 | -55.18 | 2 | 5 | 1 | 55 | 273.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 6.37 | -11.88 | 1 | 5 | 0 | 54 | 272.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
