In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[(3-oxo-4H-quinoxalin-2-yl)methylamino]pentanoic (2S)-2-[(3-oxo-4H-quinoxalin-2-y…
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) | -0.25 | 4.94 | -34.5 | 3 | 6 | 0 | 102 | 275.308 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.25 | 3.94 | -53.37 | 2 | 6 | -1 | 98 | 274.3 | 6 | ↓ |