| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 29 | Yes |
Popular Name: N-(2-aminoethyl)-N-[2-[(E)-cinnamylamino]ethyl]isoquinoline-5-sulfonamide N-(2-aminoethyl)-N-[2-[(E)-cinna…
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) | 1.90 | 5.93 | -127.14 | 5 | 6 | 2 | 95 | 412.559 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 4.18 | -13.18 | 3 | 6 | 0 | 88 | 410.543 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 4.58 | -59.95 | 4 | 6 | 1 | 90 | 411.551 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5081246; US5216150; US5245034 | IBM Patent Data |
