In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2009 | 26 | No |
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) | 1.76 | 1.68 | -50.8 | 1 | 7 | -1 | 104 | 355.301 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 2.6 | -105.78 | 0 | 7 | -2 | 107 | 354.293 | 3 | ↓ |