In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 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) | 2.93 | 6.46 | -57.36 | 1 | 5 | -1 | 81 | 406.792 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 5.7 | -12.87 | 2 | 5 | 0 | 78 | 407.8 | 6 | ↓ |