| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 15 | Yes |
Popular Name: 3-[(5-amino-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl)sulfanyl]propanenitrile 3-[(5-amino-9-thia-2,4-diazabicy…
| 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) | 1.84 | 4.56 | -13.19 | 2 | 4 | 0 | 76 | 236.325 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 4.84 | -33.05 | 3 | 4 | 1 | 77 | 237.333 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 1.3 | -35.55 | 3 | 4 | 1 | 77 | 237.333 | 3 | ↓ |
