In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 27 | Yes |
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) | 2.65 | 4.27 | -9.45 | 3 | 6 | 0 | 89 | 367.38 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 5.01 | -43.05 | 2 | 6 | -1 | 92 | 366.372 | 4 | ↓ |