In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 19 | Yes |
Popular Name: (8aR)-2-[(5-bromo-3-pyridyl)sulfonyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (8aR)-2-[(5-bromo-3-pyridyl)sulf…
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) | 1.42 | 4.2 | -42.41 | 1 | 5 | 1 | 55 | 347.258 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 2.07 | -6.99 | 0 | 5 | 0 | 54 | 346.25 | 2 | ↓ |