In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2011 | 26 | Yes |
Popular Name: N-methyl-N-[3-(2-methylphenoxy)propyl]-1-oxo-2H-isoquinoline-3-carboxamide N-methyl-N-[3-(2-methylphenoxy)p…
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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) | 3.75 | 8.76 | -14.97 | 1 | 5 | 0 | 62 | 350.418 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.20 | 8.19 | -47.23 | 0 | 5 | -1 | 65 | 349.41 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.