In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 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) | 3.39 | 8.81 | -21.87 | 3 | 8 | 0 | 100 | 532.685 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 11.13 | -58.9 | 4 | 8 | 1 | 101 | 533.693 | 12 | ↓ |