| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: N-[[2-(ethylaminomethyl)benzothiophen-3-yl]methyl]-3-methoxy-N-methyl-propan-1-amine N-[[2-(ethylaminomethyl)benzothi…
| 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) | 3.06 | 9.18 | -115.88 | 3 | 3 | 2 | 30 | 308.491 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 8.05 | -36.07 | 2 | 3 | 1 | 26 | 307.483 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 6.43 | -42.02 | 2 | 3 | 1 | 29 | 307.483 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 5.04 | -4.98 | 1 | 3 | 0 | 24 | 306.475 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
