| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2007 | 23 | No |
Popular Name: 2-[(3,4,5-trimethoxyphenyl)methyl]-9-thia-3,7-diazabicyclo[4.3.0]nona-7,10-dien-8-amine 2-[(3,4,5-trimethoxyphenyl)methy…
| 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) | 2.17 | 4.64 | -49.96 | 4 | 6 | 1 | 83 | 336.437 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 4.87 | -110.43 | 5 | 6 | 2 | 84 | 337.445 | 5 | ↓ |
