| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2010 | 29 | Yes |
Popular Name: 4-[[(1S)-7-benzyloxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol 4-[[(1S)-7-benzyloxy-6-methoxy-2…
| 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) | 4.46 | 10.91 | -48.91 | 2 | 4 | 1 | 43 | 390.503 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.46 | 9.22 | -9.76 | 1 | 4 | 0 | 42 | 389.495 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306-1-O | Aorta (cluster #1 Of 6), Other | Other | 8710 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306 | Z102306 | Aorta | 5754.39937 | 0.25 | Functional ≤ 10μM |
