| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: [(3S)-3-(4-isobutylpiperazin-1-yl)-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-(4-isobutylpiperazin-1-y…
| 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) | 0.02 | 1.72 | -110.88 | 4 | 5 | 2 | 69 | 305.488 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 1.31 | -47.32 | 3 | 5 | 1 | 68 | 304.48 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | -0.99 | -9.12 | 2 | 5 | 0 | 67 | 303.472 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | -0.25 | -46.28 | 3 | 5 | 1 | 68 | 304.48 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
