In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 19 | 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) | 2.51 | 6.43 | -43.73 | 2 | 4 | 0 | 66 | 270.21 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.51 | 6.01 | -53.22 | 1 | 4 | -1 | 65 | 269.202 | 4 | ↓ |