| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | No |
Popular Name: 2-methyl-N-[[4-propyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[4-propyl-2-(1,4-thi…
| 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) | 4.03 | 9.81 | -36.01 | 2 | 3 | 1 | 33 | 328.571 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 8.52 | -4.89 | 1 | 3 | 0 | 28 | 327.563 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
