| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | No |
Popular Name: [3-fluoro-4-(1,4-thiazepan-4-ylmethyl)phenyl]methanamine [3-fluoro-4-(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) | 1.68 | 6.76 | -94.03 | 4 | 2 | 2 | 32 | 256.39 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 6.36 | -35.53 | 3 | 2 | 1 | 30 | 255.382 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 4.74 | -49.18 | 3 | 2 | 1 | 31 | 255.382 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
