In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 27th, 2006 | 28 | 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) | 2.78 | 11.83 | -42.49 | 1 | 7 | 1 | 74 | 400.528 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 9.53 | -6.8 | 0 | 7 | 0 | 73 | 399.52 | 7 | ↓ |