In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 33 | 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) | 3.13 | 10.94 | -59.78 | 0 | 6 | -1 | 77 | 444.486 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.13 | 10.12 | -14.73 | 1 | 6 | 0 | 74 | 445.494 | 6 | ↓ |