| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: [3-[(4-ethylpiperazin-1-yl)methyl]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) | 2.33 | 6 | -121.04 | 4 | 3 | 2 | 35 | 291.464 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 3.34 | -47.74 | 3 | 3 | 1 | 34 | 290.456 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 2.93 | -4.35 | 2 | 3 | 0 | 32 | 289.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 5.21 | -36.08 | 3 | 3 | 1 | 34 | 290.456 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 5.62 | -104.76 | 4 | 3 | 2 | 35 | 291.464 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
