| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: (4R)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[2-methyl-2-(4-methylpipe…
| 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) | 1.92 | 8.08 | -94.19 | 3 | 3 | 2 | 24 | 309.523 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 5.72 | -37.58 | 2 | 3 | 1 | 23 | 308.515 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 4.22 | -2.11 | 1 | 3 | 0 | 19 | 307.507 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 6.56 | -33.38 | 2 | 3 | 1 | 20 | 308.515 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
