In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 15 | 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) | -0.67 | 0.95 | -47.96 | 4 | 5 | 1 | 77 | 216.305 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.48 | 1.73 | -56.03 | 3 | 5 | 0 | 83 | 215.297 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.67 | 0.6 | -5.25 | 3 | 5 | 0 | 75 | 215.297 | 7 | ↓ |