| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: [(3S)-3-(azepan-1-yl)-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-(azepan-1-yl)-1,1-dioxo-…
| 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) | 0.42 | 0.69 | -46.32 | 3 | 4 | 1 | 65 | 261.411 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | -0.07 | -8.87 | 2 | 4 | 0 | 63 | 260.403 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 1.8 | -43.16 | 3 | 4 | 1 | 65 | 261.411 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.42 | 2.18 | -135.46 | 4 | 4 | 2 | 66 | 262.419 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
