| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2011 | 26 | Yes |
Popular Name: N-[3-(3-chlorophenoxy)propyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide N-[3-(3-chlorophenoxy)propyl]-N-…
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| 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) | 4.00 | 8.52 | -15.58 | 1 | 5 | 0 | 62 | 370.836 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 7.96 | -47.04 | 0 | 5 | -1 | 65 | 369.828 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
