| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 14 | No |
Popular Name: (2R)-2-amino-1-[(2S)-2-(dihydroxymethylene)pyrrolidin-1-yl]-3-sulfanyl-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) | -1.67 | -0.96 | -42.52 | 5 | 5 | 1 | 88 | 219.286 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.67 | 3.2 | -123.29 | 3 | 5 | -1 | 94 | 217.27 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.67 | 2.86 | -143.59 | 2 | 5 | -2 | 92 | 216.262 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.67 | -1.25 | -10.31 | 4 | 5 | 0 | 87 | 218.278 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
