| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2006 | 21 | Yes |
Popular Name: 3-methyl-N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-5,7-dien-7-yl)phenyl]-butanamide 3-methyl-N-[4-(4-thia-1,6-diazab…
| 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) | 3.28 | 8.51 | -19.89 | 1 | 4 | 0 | 47 | 301.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 8.94 | -33.41 | 2 | 4 | 1 | 48 | 302.423 | 4 | ↓ |
