In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 32 | 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 | 8.49 | -22.45 | 1 | 9 | 0 | 108 | 431.452 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.71 | 8.95 | -45.03 | 2 | 9 | 1 | 109 | 432.46 | 7 | ↓ |