In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2009 | 27 | 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) | 3.09 | 8.72 | -42.49 | 0 | 6 | -1 | 91 | 441.286 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.63 | 9.78 | -14.86 | 1 | 6 | 0 | 88 | 442.294 | 4 | ↓ |