| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 19 | Yes |
Popular Name: (2R,3S)-2-amino-3-methyl-1-(4-thiazol-2-ylpiperazin-1-yl)pentan-1-one (2R,3S)-2-amino-3-methyl-1-(4-th…
| 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) | 0.80 | 3.06 | -49.48 | 3 | 5 | 1 | 64 | 283.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 2.78 | -11.08 | 2 | 5 | 0 | 62 | 282.413 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | 3.44 | -91.36 | 4 | 5 | 2 | 65 | 284.429 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
