| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 19 | Yes |
Popular Name: (1S)-1-(benzothiophen-3-yl)-N-(3-methoxypropyl)-N-methyl-ethane-1,2-diamine (1S)-1-(benzothiophen-3-yl)-N-(3…
| 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) | 1.88 | 5.01 | -44.72 | 3 | 3 | 1 | 40 | 279.429 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 4.06 | -5.05 | 2 | 3 | 0 | 38 | 278.421 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 6.58 | -130.78 | 4 | 3 | 2 | 41 | 280.437 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
