In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 15 | 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) | 1.56 | 6.2 | -115.12 | 4 | 2 | 2 | 32 | 206.333 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 6.54 | -28.07 | 3 | 2 | 1 | 30 | 205.325 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 4.11 | -42.06 | 3 | 2 | 1 | 31 | 205.325 | 3 | ↓ |