In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 15 | 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) | -0.43 | 2.61 | -42.76 | 3 | 4 | 1 | 61 | 208.285 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.43 | 2.28 | -8.8 | 2 | 4 | 0 | 59 | 207.277 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.43 | 3.08 | -89.83 | 4 | 4 | 2 | 62 | 209.293 | 4 | ↓ |