In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 19 | Yes |
Popular Name: (6R)-N-[(E)-cinnamyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-[(E)-cinnamyl]-5,6,7,8-te…
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) | 2.00 | 8.68 | -56.81 | 2 | 4 | 1 | 47 | 255.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.00 | 7.53 | -8.2 | 1 | 4 | 0 | 43 | 254.337 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.