In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | 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) | 0.71 | 2.98 | -49.13 | 1 | 7 | -1 | 105 | 302.328 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 3.02 | -100.46 | 0 | 7 | -2 | 107 | 301.32 | 8 | ↓ |