| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 15 | No |
Popular Name: (2R)-1-methoxy-N-[2-(1,4-thiazepan-4-yl)ethyl]propan-2-amine (2R)-1-methoxy-N-[2-(1,4-thiazep…
| 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) | 1.10 | 3.53 | -39.12 | 2 | 3 | 1 | 29 | 233.401 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 2.31 | -2.3 | 1 | 3 | 0 | 24 | 232.393 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.10 | 5.54 | -114.25 | 3 | 3 | 2 | 30 | 234.409 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
