| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(1-ethylimidazol-2-yl)me…
| 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) | 0.83 | 6.82 | -99.18 | 4 | 4 | 2 | 50 | 258.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 6.21 | -8.63 | 2 | 4 | 0 | 47 | 256.353 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 6.53 | -60.05 | 3 | 4 | 1 | 49 | 257.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
