| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | No |
Popular Name: (3S)-3-[(1,1-dioxothian-4-yl)amino]-3-(2-thienyl)propanoic (3S)-3-[(1,1-dioxothian-4-yl)ami…
| 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) | 0.89 | 4.11 | -43.14 | 2 | 5 | 0 | 91 | 303.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 3.24 | -51.61 | 1 | 5 | -1 | 86 | 302.397 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
