| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2009 | 17 | No |
Popular Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3,4-thiadiazole-2-thione 3-(3,4-dihydro-1H-isoquinolin-2-…
| 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) | 1.80 | 5.9 | -11.81 | 0 | 3 | 0 | 21 | 263.391 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 8.29 | -40.71 | 1 | 3 | 1 | 22 | 264.399 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
