| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 18 | No |
Popular Name: (3S)-3-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]azepan-2-one (3S)-3-[[5-(methylsulfanylmethyl…
| 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) | 1.49 | 5.21 | -44.2 | 3 | 4 | 1 | 59 | 269.39 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 4.85 | -10.29 | 2 | 4 | 0 | 54 | 268.382 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
