In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 29 | Yes |
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) | 0.46 | 3.27 | -60.71 | 4 | 9 | 1 | 127 | 448.88 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 1.23 | -57.03 | 2 | 9 | -1 | 129 | 446.864 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 1.62 | -84.77 | 3 | 9 | 0 | 130 | 447.872 | 9 | ↓ |