In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 19 | Yes |
Popular Name: 6-[(3aR,5S,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxamide 6-[(3aR,5S,7aS)-5-amino-1,3,3a,4…
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 | 1.92 | -55.11 | 5 | 5 | 1 | 87 | 261.349 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.10 | 2.28 | -101.33 | 6 | 5 | 2 | 88 | 262.357 | 2 | ↓ |