| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 21 | No |
Popular Name: N-[[3-(1,4-thiazepan-4-ylmethyl)benzothiophen-2-yl]methyl]ethanamine N-[[3-(1,4-thiazepan-4-ylmethyl)…
| 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) | 3.47 | 10.59 | -117.18 | 3 | 2 | 2 | 21 | 322.543 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 7.73 | -3.45 | 1 | 2 | 0 | 15 | 320.527 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 9.11 | -43.04 | 2 | 2 | 1 | 20 | 321.535 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
