| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: 4-[(3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]butyl]phenol 4-[(3S)-3-[[(3R)-1,1-dioxothian-…
| 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) | 2.06 | 2.98 | -60.76 | 3 | 4 | 1 | 71 | 298.428 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 1.76 | -12.99 | 2 | 4 | 0 | 66 | 297.42 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
