| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2006 | 21 | No |
Popular Name: 2-cyano-3-(7-phenyl-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-8-yl)-prop-2-enoic 2-cyano-3-(7-phenyl-4-thia-1,6-d…
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| 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) | 2.46 | 8.56 | -49.43 | 0 | 5 | -1 | 81 | 294.315 | 3 | ↓ |
