| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 29 | No |
Popular Name: [(3R)-6-amino-3-(chloromethyl)indolin-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone [(3R)-6-amino-3-(chloromethyl)in…
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| 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) | 2.78 | -0.92 | -13 | 3 | 7 | 0 | 89 | 415.877 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80133-1-O | EMT6 (Mammary Carcinoma Cells) (cluster #1 Of 3), Other | Other | 270 | 0.32 | Functional ≤ 10μM |
| Z80493-1-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #1 Of 6), Other | Other | 630 | 0.30 | Functional ≤ 10μM |
| Z80578-1-O | UV4 (cluster #1 Of 1), Other | Other | 59 | 0.35 | Functional ≤ 10μM |
| Z80667-1-O | AA8 (cluster #1 Of 2), Other | Other | 350 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80667 | Z80667 | AA8 | 320 | 0.31 | Functional ≤ 10μM |
| Z80133 | Z80133 | EMT6 (Mammary Carcinoma Cells) | 270 | 0.32 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 630 | 0.30 | Functional ≤ 10μM |
| Z80578 | Z80578 | UV4 | 55 | 0.35 | Functional ≤ 10μM |
