In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 17 | Yes |
Popular Name: 5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pentanenitrile 5-(6,7,8,9-tetrahydro-5H-[1,2,4]…
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) | 1.80 | 8.93 | -16.09 | 0 | 4 | 0 | 55 | 250.371 | 5 | ↓ |