| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 20 | Yes |
Popular Name: 3-methoxy-N-methyl-N-[[2-(methylaminomethyl)benzothiophen-3-yl]methyl]propan-1-amine 3-methoxy-N-methyl-N-[[2-(methyl…
| 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) | 2.69 | 8.32 | -115.95 | 3 | 3 | 2 | 30 | 294.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 7.14 | -35.9 | 2 | 3 | 1 | 26 | 293.456 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 4.11 | -5.18 | 1 | 3 | 0 | 24 | 292.448 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 5.56 | -43.28 | 2 | 3 | 1 | 29 | 293.456 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
