In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 20 | Yes |
Popular Name: 8-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]quinoline 8-[(8R)-8-methyl-5,6,7,8-tetrahy…
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) | 1.62 | 6.72 | -59.79 | 2 | 5 | 1 | 60 | 266.328 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 5.48 | -18.82 | 1 | 5 | 0 | 56 | 265.32 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.