| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 29 | No |
Popular Name: (cyclopropylmethylsulfanylmethyl-hydroxy-imino-methoxy-oxo-BLAHyl)methyl (cyclopropylmethylsulfanylmethyl…
| 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) | -0.21 | -1.29 | -12.08 | 4 | 9 | 0 | 145 | 420.491 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | 0.13 | -47.89 | 5 | 9 | 0 | 139 | 421.499 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | -1.29 | -12.91 | 4 | 9 | 0 | 145 | 420.491 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 1100 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 1100 | 0.29 | Functional ≤ 10μM |
