In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 14 | 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) | 0.32 | 4.21 | -56.85 | 2 | 4 | 0 | 60 | 202.298 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.32 | 5.03 | -60.92 | 2 | 4 | 0 | 57 | 202.298 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.32 | 6.37 | -116.07 | 3 | 4 | 1 | 61 | 203.306 | 9 | ↓ |