In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2009 | 9 | Yes |
Popular Name: (2S)-2-aminoheptan-1-ol (2S)-2-aminoheptan-1-ol
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) | 0.99 | 0.06 | -37.37 | 4 | 2 | 1 | 48 | 132.227 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.99 | -0.33 | -3.25 | 3 | 2 | 0 | 46 | 131.219 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0520336A2; EP0520336A3 | IBM Patent Data |