In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 18 | Yes |
Popular Name: 3-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1H-pyridazin-6-one 3-[(8aR)-3,4,6,7,8,8a-hexahydro-…
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) | 0.10 | 1.53 | -54.83 | 1 | 6 | 0 | 74 | 248.286 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.10 | -0.64 | -39.68 | 0 | 6 | -1 | 72 | 247.278 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.36 | 3.36 | -43.08 | 2 | 6 | 1 | 70 | 249.294 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.