In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 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) | 2.45 | 7.06 | -50.97 | 2 | 7 | 1 | 88 | 448.59 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 5.14 | -20.93 | 1 | 7 | 0 | 87 | 447.582 | 6 | ↓ |