In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2011 | 24 | 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) | 7.71 | 14.4 | -44.57 | 2 | 2 | 1 | 29 | 333.584 | 17 | ↓ |
Hi High (pH 8-9.5) | 7.71 | 13.04 | -3.09 | 1 | 2 | 0 | 25 | 332.576 | 17 | ↓ |