| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 25 | No |
Popular Name: (9S)-2-ethylsulfanyl-9-styryl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (9S)-2-ethylsulfanyl-9-styryl-5,…
| 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) | 3.77 | 12.74 | -16.8 | 1 | 5 | 0 | 60 | 352.463 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 12.09 | -43.91 | 0 | 5 | -1 | 61 | 351.455 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.95 | 12.49 | -45.1 | 0 | 5 | -1 | 61 | 351.455 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.12 | 12.7 | -26.77 | 2 | 5 | 1 | 65 | 353.471 | 4 | ↓ |
