| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2010 | 21 | Yes |
Popular Name: 1-[(2-methylthiazol-4-yl)methylamino]isoquinoline-3-carboxylic 1-[(2-methylthiazol-4-yl)methyla…
| 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) | 2.34 | 7.53 | -33.4 | 2 | 5 | 0 | 79 | 299.355 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 7.22 | -61.81 | 1 | 5 | -1 | 78 | 298.347 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
