In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 38 | 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) | 5.33 | 14.6 | -59.28 | 1 | 10 | 1 | 105 | 542.682 | 11 | ↓ |
Hi High (pH 8-9.5) | 5.33 | 12.17 | -16.53 | 0 | 10 | 0 | 104 | 541.674 | 11 | ↓ |