| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: [(3S)-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-[(2S)-2-methyl-1,4-oxaze…
| 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) | -0.51 | -1.03 | -55.22 | 3 | 5 | 1 | 74 | 277.41 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.51 | -1.31 | -10.26 | 2 | 5 | 0 | 73 | 276.402 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.51 | 0.53 | -140.22 | 4 | 5 | 2 | 75 | 278.418 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
