| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 31 | Yes |
Popular Name: 1-[(1S)-1-phenethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenyl-propan-1-one 1-[(1S)-1-phenethyl-1,3,4,9-tetr…
| 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) | 6.32 | 15.74 | -10.25 | 1 | 3 | 0 | 36 | 408.545 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103014-1-O | Human Papillomavirus - 16 (cluster #1 Of 1), Other | Other | 2700 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103014 | Z103014 | Human Papillomavirus - 16 | 2700 | 0.25 | Functional ≤ 10μM |
