In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2005 | 30 | 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) | 5.78 | 11.71 | -18.32 | 1 | 5 | 0 | 48 | 401.51 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.78 | 12.13 | -26.58 | 2 | 5 | 1 | 49 | 402.518 | 7 | ↓ |