In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 16 | Yes |
Popular Name: [1-[2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(1S,4R)-5-azabicyclo[2.2.…
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) | 0.20 | 3.15 | -98.5 | 4 | 5 | 2 | 63 | 223.324 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 2.74 | -42.61 | 3 | 5 | 1 | 61 | 222.316 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.