In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 21 | Yes |
Popular Name: N-(2-amino-2-oxo-ethyl)-3,4,5-trifluoro-N-[(3R)-pyrrolidin-3-yl]benzamide N-(2-amino-2-oxo-ethyl)-3,4,5-tr…
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) | -0.11 | 2.08 | -40.47 | 4 | 5 | 1 | 80 | 302.276 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.11 | 0.71 | -11.72 | 3 | 5 | 0 | 75 | 301.268 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.