| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 27 | Yes |
Popular Name: (1S)-2-benzyl-1-(p-tolyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (1S)-2-benzyl-1-(p-tolyl)-1,3,4,…
| 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) | 5.80 | 14.64 | -37.01 | 2 | 2 | 1 | 20 | 353.489 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.80 | 12.85 | -5.29 | 1 | 2 | 0 | 19 | 352.481 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103014-1-O | Human Papillomavirus - 16 (cluster #1 Of 1), Other | Other | 5800 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103014 | Z103014 | Human Papillomavirus - 16 | 5800 | 0.27 | Functional ≤ 10μM |
