| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 36 | Yes |
Popular Name: (2S)-3-phenyl-2-[[9-(3-phenylpropyl)pyrido[3,4-b]indole-3-carbonyl]amino]propanoic (2S)-3-phenyl-2-[[9-(3-phenylpro…
| 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) | 3.99 | 16.13 | -62.75 | 1 | 6 | -1 | 87 | 476.556 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 16.59 | -64.51 | 2 | 6 | 0 | 88 | 477.564 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103200-1-O | 769-P (cluster #1 Of 1), Other | Other | 8000 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103200 | Z103200 | 769-P | 8000 | 0.20 | Functional ≤ 10μM |
