| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 16 | No |
Popular Name: (6aS,10aS,11aS)-3,4,6a,7,8,9,10,10a,11,11a-decahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione (6aS,10aS,11aS)-3,4,6a,7,8,9,10,…
| 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) | 2.99 | 5.73 | -8.33 | 0 | 3 | 0 | 37 | 239.34 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_RAT | P47820 | Angiotensin-converting Enzyme, Rat | 7 | 0.71 | Binding ≤ 1μM |
| ACE_RAT | P47820 | Angiotensin-converting Enzyme, Rat | 7 | 0.71 | Binding ≤ 10μM |
