In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 26 | Yes |
Popular Name: (3S)-6-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-7-methyl-indolin-2-one (3S)-6-chloro-3-cycloheptyl-3-(4…
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) | 5.91 | 8.09 | -7.61 | 2 | 3 | 0 | 49 | 369.892 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 51 | 0.39 | Functional ≤ 10μM |
Z80390-3-O | PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other | Other | 150 | 0.37 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 51 | 0.39 | Functional ≤ 10μM |
Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 150 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.