| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 20 | Yes |
Popular Name: 4-isopropylsulfanyl-9-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-2-one 4-isopropylsulfanyl-9-phenyl-7-t…
| 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) | 4.68 | 8.19 | -15.34 | 1 | 3 | 0 | 46 | 302.424 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.14 | 6.94 | -46.53 | 0 | 3 | -1 | 49 | 301.416 | 3 | ↓ |
