In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2008 | 28 | 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) | 1.98 | 6.95 | -39.91 | 1 | 8 | -1 | 126 | 381.364 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.98 | 5.83 | -22.16 | 2 | 8 | 0 | 124 | 382.372 | 7 | ↓ |