| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 17 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(4-hydroxypyrimidin-2-yl)sulfanyl-propanoic (2S)-2-amino-2-cyclopropyl-3-(4-…
| 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) | -1.46 | 2.94 | -41.76 | 4 | 6 | 0 | 114 | 255.299 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.00 | 0.74 | -106.41 | 2 | 6 | -2 | 115 | 253.283 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 2.76 | -46.24 | 3 | 6 | -1 | 112 | 254.291 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.00 | 0.95 | -73.48 | 3 | 6 | -1 | 117 | 254.291 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
