| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 3rd, 2011 | 27 | Yes |
Popular Name: N-[(2S)-2-(diethylamino)propyl]-5-methyl-1-(6-quinolyl)triazole-4-carboxamide N-[(2S)-2-(diethylamino)propyl]-…
| 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) | 2.09 | 7.37 | -37.68 | 2 | 7 | 1 | 77 | 367.477 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 5.34 | -9.31 | 1 | 7 | 0 | 76 | 366.469 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
