In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 39 | 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) | 6.94 | 19.43 | -15.81 | 1 | 6 | 0 | 69 | 518.661 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.94 | 19.88 | -32.22 | 2 | 6 | 1 | 70 | 519.669 | 7 | ↓ |