| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 19 | Yes |
Popular Name: N-[[2-(aminomethyl)benzothiophen-3-yl]methyl]-3-methoxy-N-methyl-propan-1-amine N-[[2-(aminomethyl)benzothiophen…
| 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) | 2.31 | 6.44 | -122.96 | 4 | 3 | 2 | 41 | 280.437 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 3.7 | -49.15 | 3 | 3 | 1 | 40 | 279.429 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 6.05 | -41.55 | 3 | 3 | 1 | 40 | 279.429 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 3.28 | -5.66 | 2 | 3 | 0 | 38 | 278.421 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
