In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(4-pyridyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine (1R)-1-(4-pyridyl)-N-[(1R)-1-([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) | 1.66 | 7.76 | -49.94 | 2 | 5 | 1 | 60 | 268.344 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 6.74 | -15.91 | 1 | 5 | 0 | 55 | 267.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.