In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 32 | 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) | 4.06 | 11.17 | -63.31 | 0 | 7 | -1 | 92 | 440.516 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.06 | 10.28 | -15.83 | 1 | 7 | 0 | 89 | 441.524 | 10 | ↓ |