| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: [(3S)-3-(azocan-1-yl)-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-(azocan-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) | 0.93 | 2.77 | -45.94 | 3 | 4 | 1 | 65 | 275.438 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 2.67 | -40.9 | 3 | 4 | 1 | 65 | 275.438 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 1.97 | -8.55 | 2 | 4 | 0 | 63 | 274.43 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 3.05 | -127 | 4 | 4 | 2 | 66 | 276.446 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
