In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 21 | Yes |
Popular Name: 3-(dimethylaminomethyl)-N-(1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridine-2-carboxamide 3-(dimethylaminomethyl)-N-(1H-1,…
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) | 0.25 | 8.18 | -59.12 | 2 | 8 | 0 | 91 | 285.311 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.25 | 5.79 | -17.31 | 2 | 8 | 0 | 91 | 285.311 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.25 | 5.71 | -54.76 | 1 | 8 | -1 | 90 | 284.303 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.32 | 6.75 | -50.69 | 2 | 8 | 0 | 99 | 285.311 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.25 | 8.34 | -42.52 | 3 | 8 | 1 | 92 | 286.319 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.