In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 7.00 | 15.69 | -59.05 | 0 | 6 | -1 | 79 | 526.653 | 12 | ↓ |
Lo Low (pH 4.5-6) | 7.00 | 14.94 | -13.04 | 1 | 6 | 0 | 76 | 527.661 | 12 | ↓ |