In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2005 | 22 | Yes |
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) | 2.91 | -1.16 | -11.59 | 0 | 7 | 0 | 82 | 317.736 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80492-1-O | SK-N-SH (Neuroblastoma Cells) (cluster #1 Of 2), Other | Other | 400 | 0.41 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80492 | Z80492 | SK-N-SH (Neuroblastoma Cells) | 400 | 0.41 | Functional ≤ 10μM |