In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 19 | 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) | 0.30 | 1.51 | -16.46 | 2 | 6 | 0 | 84 | 351.584 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.76 | -0.29 | -50.01 | 1 | 6 | -1 | 87 | 350.576 | 3 | ↓ |