| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2006 | 23 | No |
Popular Name: 2-(4-diethylaminophenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione 2-(4-diethylaminophenyl)-5-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) | 3.61 | 10.14 | -8.44 | 0 | 4 | 0 | 41 | 312.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.23 | -25.9 | 1 | 4 | 0 | 42 | 313.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.21 | -25.85 | 1 | 4 | 0 | 42 | 313.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.19 | -24.41 | 1 | 4 | 0 | 42 | 313.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.19 | -24.38 | 1 | 4 | 0 | 42 | 313.421 | 4 | ↓ |
