In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2010 | 30 | Yes |
Popular Name: (2S)-2-[[3-[[(1S)-1-carboxy-4-hydroxy-4-oxo-butyl]carbamoyl]benzoyl]amino]pentanedioic (2S)-2-[[3-[[(1S)-1-carboxy-4-hy…
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) | -4.45 | 7.88 | -257.69 | 2 | 12 | -4 | 219 | 420.33 | 12 | ↓ |
Lo Low (pH 4.5-6) | -4.45 | 5.93 | -187.9 | 3 | 12 | -3 | 216 | 421.338 | 12 | ↓ |