| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 21 | Yes |
Popular Name: 2-[cyclopentyl-(3,5-dichloro-2-hydroxy-benzoyl)amino]acetic 2-[cyclopentyl-(3,5-dichloro-2-h…
None
| 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) | 2.18 | 6.8 | -116.39 | 0 | 5 | -2 | 83 | 330.167 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 6.2 | -43.32 | 1 | 5 | -1 | 81 | 331.175 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 0.1 | 0.67 | Binding ≤ 1μM |
| ACE_RABIT | P12822 | Angiotensin-converting Enzyme, Rabit | 0.1 | 0.67 | Binding ≤ 10μM |
