| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 29 | Yes |
Popular Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-methyl-amino]ethyl]-N-methyl-isoquinoline-5-sulfonamide N-[2-[[(E)-3-(4-chlorophenyl)all…
None
| 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) | 4.37 | 10.49 | -52.44 | 1 | 5 | 1 | 55 | 430.981 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 8.14 | -12.87 | 0 | 5 | 0 | 54 | 429.973 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5216150 | IBM Patent Data |
