In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 17 | 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) | 1.47 | 6.23 | -46.13 | 2 | 4 | 0 | 66 | 250.685 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 5.81 | -39.18 | 1 | 4 | -1 | 65 | 249.677 | 3 | ↓ |