In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 25th, 2008 | 25 | No |
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) | 2.90 | 7.78 | -44.92 | 2 | 6 | 1 | 63 | 409.721 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.08 | 6.26 | -46.76 | 1 | 6 | 0 | 69 | 408.713 | 6 | ↓ |