| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 21 | Yes |
Popular Name: [3-[(4-ethylpiperazin-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methanamine [3-[(4-ethylpiperazin-1-yl)methy…
| 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) | 2.44 | 5.83 | -117.59 | 4 | 3 | 2 | 35 | 309.454 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 3.31 | -46.26 | 3 | 3 | 1 | 34 | 308.446 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.18 | -31.2 | 3 | 3 | 1 | 34 | 308.446 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 2.9 | -5.25 | 2 | 3 | 0 | 32 | 307.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 5.58 | -98.91 | 4 | 3 | 2 | 35 | 309.454 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
