In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2005 | 32 | Yes |
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) | 6.86 | 2.48 | -14.53 | 1 | 5 | 0 | 55 | 433.596 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.86 | 2.66 | -30.15 | 2 | 5 | 1 | 56 | 434.604 | 8 | ↓ |