In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 14 | Yes |
Popular Name: 2-[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(2R)-2-aminopropanoyl…
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) | -1.22 | 2.12 | -74.37 | 3 | 5 | 0 | 88 | 200.238 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.22 | 3.03 | -65.31 | 2 | 5 | -1 | 86 | 199.23 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4634716 | IBM Patent Data |