In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 33 | 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) | 3.70 | 10.11 | -56.8 | 3 | 6 | 1 | 66 | 447.603 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 7.81 | -16.51 | 2 | 6 | 0 | 65 | 446.595 | 6 | ↓ |