In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 35 | 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) | 1.41 | 5.16 | -16.42 | 2 | 9 | 0 | 117 | 480.496 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 5.77 | -57.1 | 1 | 9 | -1 | 120 | 479.488 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 6.92 | -43.81 | 3 | 9 | 1 | 119 | 481.504 | 7 | ↓ |