| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 18 | Yes |
Popular Name: N-isopropyl-N-(2-pyridylmethyl)-1H-triazole-4-carboxamide N-isopropyl-N-(2-pyridylmethyl)-…
| 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) | 0.36 | 3.98 | -7.58 | 1 | 6 | 0 | 75 | 245.286 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 3.96 | -36.32 | 0 | 6 | -1 | 73 | 244.278 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.36 | 4.7 | -34.67 | 2 | 6 | 1 | 76 | 246.294 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
