In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 25 | 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) | 3.55 | 10.08 | -43.92 | 1 | 4 | 1 | 33 | 339.438 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 7.64 | -6.17 | 0 | 4 | 0 | 32 | 338.43 | 3 | ↓ |