In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 30 | 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) | 3.16 | 10.51 | -93.79 | 2 | 8 | -1 | 117 | 422.546 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.16 | 9.38 | -68.53 | 3 | 8 | 0 | 114 | 423.554 | 7 | ↓ |