| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | Yes |
Popular Name: (2R)-2-amino-1-[(2S)-2-(dihydroxymethylene)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one (2R)-2-amino-1-[(2S)-2-(dihydrox…
| 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) | -0.67 | -0.63 | -13.52 | 5 | 6 | 0 | 107 | 278.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | 3.75 | -150.04 | 3 | 6 | -2 | 113 | 276.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | -0.34 | -47.48 | 6 | 6 | 1 | 109 | 279.316 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
