In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 31 | 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) | 3.80 | 12.52 | -50.16 | 2 | 7 | 1 | 83 | 423.537 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 10.07 | -13.42 | 1 | 7 | 0 | 81 | 422.529 | 6 | ↓ |