| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (2S)-1-[[(3S)-1,1-dioxothian-3-yl]amino]-3-morpholino-propan-2-ol (2S)-1-[[(3S)-1,1-dioxothian-3-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) | -0.88 | -3.13 | -58.76 | 3 | 6 | 1 | 83 | 293.409 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.88 | -4.34 | -13.11 | 2 | 6 | 0 | 79 | 292.401 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.88 | -0.88 | -126.75 | 4 | 6 | 2 | 85 | 294.417 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
