In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 18 | Yes |
28416-66-2; D01490; Isoaminile citrate (JAN)
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) | 3.52 | 9.07 | -44.85 | 1 | 2 | 1 | 28 | 245.39 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 8.8 | -6.21 | 0 | 2 | 0 | 27 | 244.382 | 5 | ↓ |