In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 27 | 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) | 3.58 | 6.64 | -69.32 | 2 | 6 | 1 | 71 | 408.931 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 7.51 | -22.22 | 1 | 6 | 0 | 70 | 407.923 | 5 | ↓ |