In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2009 | 19 | No |
Popular Name: (2S,4R)-N-isopentyl-2-(3-pyridyl)thiazolidine-4-carboxamide (2S,4R)-N-isopentyl-2-(3-pyridyl…
None
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) | 1.56 | 3.58 | -11.9 | 2 | 4 | 0 | 54 | 279.409 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 4.03 | -40.26 | 3 | 4 | 1 | 55 | 280.417 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0279681A2; US4987132 | IBM Patent Data |