In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 28 | Yes |
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) | 3.26 | 5.7 | -13.28 | 1 | 7 | 0 | 89 | 390.834 | 2 | ↓ |
Ref Reference (pH 7) | 3.08 | 8.42 | -12.21 | 1 | 7 | 0 | 86 | 390.834 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 6.13 | -45.49 | 2 | 7 | 1 | 90 | 391.842 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 8.85 | -45.97 | 2 | 7 | 1 | 87 | 391.842 | 2 | ↓ |