In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2006 | 22 | No |
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) | 3.13 | 6.98 | -14.18 | 1 | 7 | 0 | 93 | 299.286 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z102306-1-O | Aorta (cluster #1 Of 6), Other | Other | 2500 | 0.36 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z102306 | Z102306 | Aorta | 2500 | 0.36 | Functional ≤ 10μM |