| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 19 | Yes |
Popular Name: N5-[(4-methylthiazol-2-yl)methyl]isoquinoline-5,8-diamine N5-[(4-methylthiazol-2-yl)methyl…
| 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) | 1.58 | 3.86 | -33.42 | 4 | 4 | 1 | 65 | 271.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 3.39 | -8.51 | 3 | 4 | 0 | 64 | 270.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
