| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2005 | 24 | 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) | 4.06 | 0.58 | -22.96 | 1 | 4 | 0 | 59 | 323.392 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-1-E | Nitric-oxide Synthase, Brain (cluster #1 Of 7), Eukaryotic | Eukaryotes | 850 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 850 | 0.35 | Binding ≤ 1μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 850 | 0.35 | Binding ≤ 10μM |
