| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 32 | Yes |
Popular Name: 1-[(1S)-1-(benzyloxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenyl-propan-1-one 1-[(1S)-1-(benzyloxymethyl)-1,3,…
| 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) | 5.58 | 14.19 | -12.84 | 1 | 4 | 0 | 45 | 424.544 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103014-1-O | Human Papillomavirus - 16 (cluster #1 Of 1), Other | Other | 7300 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103014 | Z103014 | Human Papillomavirus - 16 | 7300 | 0.22 | Functional ≤ 10μM |
