In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 22 | Yes |
Popular Name: (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]ethanol (1S)-1-(4-fluorophenyl)-2-[[(1R)…
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) | 1.97 | 5.43 | -16.98 | 2 | 5 | 0 | 62 | 300.337 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 6.64 | -54.22 | 3 | 5 | 1 | 67 | 301.345 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.