| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 22 | No |
Popular Name: (4S)-2-amino-4-(3-pyridyl)-4,7-dihydropyrano[2,3-e]indole-3-carbonitrile (4S)-2-amino-4-(3-pyridyl)-4,7-d…
| 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) | 1.68 | 4.55 | -11.57 | 3 | 5 | 0 | 88 | 288.31 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 110 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 110 | 0.44 | Functional ≤ 10μM |
