| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | No |
Popular Name: 2-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]quinoline-4-carbothioamide 2-[[(1S)-2-cyclopropyl-1-methyl-…
| 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) | 3.64 | 7.52 | -12.08 | 3 | 3 | 0 | 51 | 285.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 7.98 | -35.92 | 4 | 3 | 1 | 52 | 286.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
