| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 20 | No |
Popular Name: [4-fluoro-3-(1,4-thiazepan-4-ylmethyl)benzothiophen-2-yl]methanamine [4-fluoro-3-(1,4-thiazepan-4-ylm…
| 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) | 2.83 | 8.06 | -119.11 | 4 | 2 | 2 | 32 | 312.479 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 5.39 | -4.82 | 2 | 2 | 0 | 29 | 310.463 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 5.78 | -49.52 | 3 | 2 | 1 | 31 | 311.471 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
