In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2007 | 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) | 2.22 | 4.74 | -69.96 | 1 | 9 | -1 | 127 | 501.581 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 4.9 | -17.22 | 2 | 9 | 0 | 124 | 502.589 | 10 | ↓ |