| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 21 | Yes |
Popular Name: 6-[(3S)-3-amino-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-3-carbonitrile 6-[(3S)-3-amino-3,4-dihydro-2H-q…
| 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) | 0.52 | 5.64 | -59.79 | 3 | 5 | 1 | 85 | 279.323 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 5.31 | -9.62 | 2 | 5 | 0 | 83 | 278.315 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
