| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | No |
Popular Name: (2S)-2-cyclopropyl-3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-(methylamino)propanoic (2S)-2-cyclopropyl-3-[[(3R)-1,1-…
| 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) | -2.16 | 3.75 | -96.29 | 3 | 6 | 1 | 95 | 291.393 | 6 | ↓ |
| Hi High (pH 8-9.5) | -2.16 | 1.36 | -49.94 | 1 | 6 | -1 | 90 | 289.377 | 6 | ↓ |
| Hi High (pH 8-9.5) | -2.16 | 2.81 | -56.8 | 2 | 6 | 0 | 91 | 290.385 | 6 | ↓ |
| Mid Mid (pH 6-8) | -2.16 | 1.78 | -41.91 | 2 | 6 | 0 | 94 | 290.385 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
