| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 21 | Yes |
Popular Name: N-[[3-[(4-methylpiperazin-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(4-methylpiperazin-1-yl)m…
| 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) | 2.70 | 7.67 | -99.15 | 3 | 3 | 2 | 24 | 305.491 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 3.92 | -3.92 | 1 | 3 | 0 | 19 | 303.475 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 5.3 | -40.47 | 2 | 3 | 1 | 23 | 304.483 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 7.99 | -113.12 | 3 | 3 | 2 | 24 | 305.491 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
