In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 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) | 2.98 | 10.42 | -82.43 | 1 | 7 | 0 | 83 | 458.942 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 10.72 | -60.17 | 1 | 7 | 1 | 77 | 459.95 | 9 | ↓ |