| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 25 | Yes |
Popular Name: (2S,4R)-4-amino-N-ethyl-1-(2-hydroxy-5-pyrrol-1-yl-benzoyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-ethyl-1-(2-hyd…
| 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) | 0.30 | 3.06 | -71.93 | 5 | 7 | 1 | 102 | 343.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 4.02 | -102.58 | 4 | 7 | 0 | 105 | 342.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 2.77 | -17.05 | 4 | 7 | 0 | 101 | 342.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 3.73 | -65.17 | 3 | 7 | -1 | 103 | 341.391 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
