In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 20 | Yes |
Popular Name: (1S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1S)-N-[(2-methylpyrimidin-4-yl)…
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) | 0.79 | 5.7 | -19 | 1 | 6 | 0 | 68 | 268.324 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.79 | 6.87 | -51.19 | 2 | 6 | 1 | 73 | 269.332 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.