| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(3R)-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 | 4.14 | -38.1 | 2 | 5 | 0 | 91 | 303.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 3.26 | -48.6 | 1 | 5 | -1 | 86 | 302.397 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
