| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: 4-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carboxamidine 4-[methyl-[[(2S)-tetrahydrofuran…
| 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) | 1.02 | 5.98 | -91.2 | 5 | 5 | 2 | 78 | 286.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 6.56 | -6.37 | 3 | 5 | 0 | 75 | 284.363 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 5.55 | -35.04 | 4 | 5 | 1 | 77 | 285.371 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 7 | -28.54 | 4 | 5 | 1 | 76 | 285.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
