| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 46 | No |
Popular Name: N,N'-bis[(4-diphenylaminophenyl)methyl]butane-1,4-diamine N,N'-bis[(4-diphenylaminophenyl)…
| 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) | 8.46 | 1.69 | -109.83 | 4 | 4 | 2 | 39 | 604.842 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80018-2-O | A-375 (Malignant Melanoma Cells) (cluster #2 Of 4), Other | Other | 400 | 0.19 | Functional ≤ 10μM |
| Z80254-2-O | MES-SA (Uterine Sarcoma Cells) (cluster #2 Of 2), Other | Other | 640 | 0.19 | Functional ≤ 10μM |
| Z80390-3-O | PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other | Other | 600 | 0.19 | Functional ≤ 10μM |
| Z80488-2-O | SK-MEL-5 (Melanoma Cells) (cluster #2 Of 3), Other | Other | 940 | 0.18 | Functional ≤ 10μM |
| Z80493-3-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #3 Of 6), Other | Other | 680 | 0.19 | Functional ≤ 10μM |
| Z80712-4-O | T47D (Breast Carcinoma Cells) (cluster #4 Of 7), Other | Other | 650 | 0.19 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 620 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80018 | Z80018 | A-375 (Malignant Melanoma Cells) | 400 | 0.19 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 620 | 0.19 | Functional ≤ 10μM |
| Z80254 | Z80254 | MES-SA (Uterine Sarcoma Cells) | 610 | 0.19 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 600 | 0.19 | Functional ≤ 10μM |
| Z80488 | Z80488 | SK-MEL-5 (Melanoma Cells) | 940 | 0.18 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 680 | 0.19 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 650 | 0.19 | Functional ≤ 10μM |
