| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: N5-[(1S,2R,4S)-2,4-dimethylcyclohexyl]isoquinoline-5,8-diamine N5-[(1S,2R,4S)-2,4-dimethylcyclo…
| 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) | 4.11 | 6.71 | -30.48 | 4 | 3 | 1 | 52 | 270.4 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.11 | 6.25 | -4.94 | 3 | 3 | 0 | 51 | 269.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
