In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 16 | Yes |
Popular Name: 4-[(3R,8aR)-1,4-diketo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]butylammonium 4-[(3R,8aR)-1,4-diketo-2,3,6,7,8…
None
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) | -1.14 | 0.45 | -49.56 | 4 | 5 | 1 | 77 | 226.3 | 4 | ↓ |