In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 19 | Yes |
Popular Name: (1S)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1S)-N-[(3-methyl-1H-pyrazol-4-y…
None
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) | 0.92 | 5.94 | -52.69 | 3 | 6 | 1 | 75 | 257.321 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 4.82 | -17.61 | 2 | 6 | 0 | 71 | 256.313 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.