In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 20 | Yes |
Popular Name: (3S)-3-ethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(2-oxo-3H-1,3-ben…
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) | 1.20 | 2.1 | -51.55 | 4 | 6 | 1 | 92 | 276.316 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.65 | -0.5 | -79.59 | 3 | 6 | 0 | 95 | 275.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.