In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2005 | 14 | No |
Popular Name: 9-sulfanyl-8-azabicyclo[5.4.0]undeca-8,10,12-triene-10-carbonitrile 9-sulfanyl-8-azabicyclo[5.4.0]un…
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) | 3.04 | -0.45 | -48.56 | 0 | 2 | -1 | 36 | 203.29 | 0 | ↓ |
Lo Low (pH 4.5-6) | 3.04 | -0.35 | -25.56 | 1 | 2 | 0 | 37 | 204.298 | 0 | ↓ |