In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2008 | 20 | No |
Popular Name: (2S)-2-[[(2S,3R)-3-(4-hydroxyphenyl)-2-(sulfanylmethyl)butanoyl]amino]propanoic (2S)-2-[[(2S,3R)-3-(4-hydroxyphe…
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) | 0.35 | 2.91 | -43.02 | 2 | 5 | -1 | 89 | 296.368 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.35 | 3.44 | -91.03 | 2 | 5 | -2 | 89 | 295.36 | 6 | ↓ |