In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2009 | 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) | 2.66 | 6.84 | -13.81 | 0 | 7 | 0 | 74 | 430.46 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.66 | 9.69 | -57.17 | 1 | 7 | 1 | 75 | 431.468 | 5 | ↓ |