In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 22 | Yes |
Popular Name: 2-(1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)-1-p-phenetyl-ethanone 2-(1-methyl-3,4-dihydropyrrolo[1…
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) | -1.09 | 9.69 | -34.75 | 0 | 4 | 1 | 34 | 297.378 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 9.63 | -11.64 | 0 | 4 | 0 | 34 | 296.37 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.