In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 35 | 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) | 1.90 | 9.13 | -79.98 | 1 | 9 | 0 | 105 | 503.621 | 11 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 6.91 | -60.18 | 0 | 9 | -1 | 104 | 502.613 | 11 | ↓ |