| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | No |
Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-(3-imidazol-1-ylpropyl)amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-yl]-…
| 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) | -1.85 | 6.27 | -82.15 | 2 | 7 | 1 | 98 | 302.376 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.85 | 3.86 | -54.93 | 0 | 7 | -1 | 95 | 300.36 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.85 | 5.76 | -51.7 | 1 | 7 | 0 | 97 | 301.368 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
