In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 31 | 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) | 2.73 | 7.39 | -58.31 | 2 | 7 | 1 | 88 | 448.54 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 4.86 | -19.72 | 1 | 7 | 0 | 87 | 447.532 | 6 | ↓ |