| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 18 | No |
Popular Name: N-[[3-(1,4-thiazepan-4-ylmethyl)-2-furyl]methyl]propan-2-amine 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) | 1.82 | 8.31 | -106.3 | 3 | 3 | 2 | 34 | 270.442 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.15 | -35.61 | 2 | 3 | 1 | 33 | 269.434 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
