In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2009 | 26 | 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) | 5.03 | 10.09 | -42.86 | 2 | 4 | 1 | 55 | 352.454 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.03 | 10.85 | -33.19 | 1 | 4 | 0 | 58 | 351.446 | 6 | ↓ |