| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 30 | No |
Popular Name: (2S)-2-[[(2S)-2-(1H-indole-2-carbonylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic (2S)-2-[[(2S)-2-(1H-indole-2-car…
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| 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) | 0.86 | 7.54 | -50.34 | 3 | 7 | -1 | 114 | 424.502 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 8.08 | -109.42 | 3 | 7 | -2 | 114 | 423.494 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMD-1-E | Peptidyl-glycine Alpha-amidating Monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMD_RAT | P14925 | Peptidyl-glycine Alpha-amidating Monooxygenase, Rat | 8 | 0.38 | Functional ≤ 10μM |
