In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 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) | 1.55 | 4.01 | -60.12 | 0 | 9 | -1 | 105 | 441.46 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.55 | 6.28 | -72.26 | 1 | 9 | 0 | 106 | 442.468 | 8 | ↓ |