In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 10 | Yes |
Popular Name: propyl propyl
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) | 0.80 | 2.85 | -40.39 | 3 | 3 | 1 | 54 | 146.21 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 2.53 | -3.3 | 2 | 3 | 0 | 52 | 145.202 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0271040A2 | IBM Patent Data |