In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 16 | 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) | 4.48 | 8.76 | -37.76 | 2 | 1 | 1 | 17 | 297.241 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.48 | 7.63 | -2.45 | 1 | 1 | 0 | 12 | 296.233 | 4 | ↓ |