| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2006 | 27 | Yes |
Popular Name: 3-(4-ethylphenyl)-N-[3-(4-thia-1,6-diazabicyclo[3.3.0]octa-5,7-dien-7-yl)phenyl]-propanamide 3-(4-ethylphenyl)-N-[3-(4-thia-1…
| 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) | 4.84 | 12.41 | -22.56 | 1 | 4 | 0 | 47 | 377.513 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 12.85 | -30.61 | 2 | 4 | 1 | 48 | 378.521 | 6 | ↓ |
