| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-isoindolin-2-yl-propanoic (2S)-2-amino-2-cyclopropyl-3-iso…
| 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) | -1.07 | 6.89 | -80.07 | 4 | 4 | 1 | 72 | 247.318 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.07 | 6.66 | -45.84 | 3 | 4 | 0 | 71 | 246.31 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.07 | 4.88 | -50.5 | 2 | 4 | -1 | 69 | 245.302 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.07 | 5 | -36.82 | 3 | 4 | 0 | 71 | 246.31 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
