| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: 2-[[(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]methyl]-5-hydroxy-pyran-4-one 2-[[(3S)-3-amino-3,4-dihydro-2H-…
| 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) | 0.13 | 3.24 | -64.13 | 4 | 5 | 1 | 81 | 273.312 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 3.79 | -55.63 | 2 | 5 | -1 | 83 | 271.296 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 4.11 | -92.21 | 3 | 5 | 0 | 84 | 272.304 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
