| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 4-[(3S)-3-hydroxy-1-piperidyl]quinoline-3-carboxamidine 4-[(3S)-3-hydroxy-1-piperidyl]qu…
| 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) | 0.40 | 2.82 | -94.52 | 6 | 5 | 2 | 89 | 272.352 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 3.49 | -9.01 | 4 | 5 | 0 | 86 | 270.336 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 2.39 | -34.91 | 5 | 5 | 1 | 88 | 271.344 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 3.92 | -35.38 | 5 | 5 | 1 | 87 | 271.344 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
