In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2007 | 31 | 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) | 3.08 | 9.13 | -48.57 | 0 | 7 | -1 | 88 | 424.473 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 8.3 | -12.64 | 1 | 7 | 0 | 85 | 425.481 | 9 | ↓ |