| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 19 | Yes |
Popular Name: (4S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-(4-methylpiperazin-1-y…
| 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) | 1.11 | 6.67 | -94.37 | 3 | 3 | 2 | 24 | 281.469 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 4.3 | -40.84 | 2 | 3 | 1 | 23 | 280.461 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 3.22 | -2.89 | 1 | 3 | 0 | 19 | 279.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 5.6 | -34.91 | 2 | 3 | 1 | 20 | 280.461 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
