| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2006 | 22 | Yes |
Popular Name: 2-ethyl-N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-5,7-dien-7-yl)phenyl]-butanamide 2-ethyl-N-[4-(4-thia-1,6-diazabi…
| 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) | 3.75 | 9.45 | -15.42 | 1 | 4 | 0 | 47 | 315.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 9.88 | -32.53 | 2 | 4 | 1 | 48 | 316.45 | 5 | ↓ |
