In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 38 | 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) | 3.41 | 9.42 | -63.81 | 0 | 9 | -1 | 105 | 525.622 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 11.7 | -75.37 | 1 | 9 | 0 | 106 | 526.63 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.41 | 10.81 | -53.26 | 2 | 9 | 1 | 103 | 527.638 | 12 | ↓ |