| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: [(3S)-3-(1,4-diazepan-1-yl)-1,1-dioxo-thian-3-yl]methanol [(3S)-3-(1,4-diazepan-1-yl)-1,1-…
| 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) | -0.86 | -2.38 | -42.1 | 3 | 5 | 1 | 71 | 263.383 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.86 | -4.13 | -10.57 | 2 | 5 | 0 | 70 | 262.375 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.86 | -2.77 | -47.49 | 3 | 5 | 1 | 74 | 263.383 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
