In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 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) | 0.94 | 8.94 | -39.31 | 3 | 11 | 0 | 169 | 483.477 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 9.84 | -53.07 | 2 | 11 | -1 | 172 | 482.469 | 7 | ↓ |