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) | 2.98 | 8.14 | -56.64 | 2 | 7 | 1 | 88 | 444.577 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 5.57 | -22.62 | 1 | 7 | 0 | 87 | 443.569 | 6 | ↓ |