| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 20th, 2009 | 32 | No |
Popular Name: 9-amino-N-(2-dimethylaminoethyl)-5-(4-nitrophenyl)acridine-4-carboxamide 9-amino-N-(2-dimethylaminoethyl)…
| 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) | 4.06 | 10.75 | -88.38 | 5 | 8 | 2 | 120 | 431.496 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 8.21 | -42.72 | 4 | 8 | 1 | 118 | 430.488 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80152-1-O | HCT-8 (Ileocecal Adenocarcinoma) (cluster #1 Of 2), Other | Other | 6 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80152 | Z80152 | HCT-8 (Ileocecal Adenocarcinoma) | 5.9 | 0.36 | Functional ≤ 10μM |
