In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 32 | 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) | 1.37 | 6.02 | -53.23 | 3 | 7 | 1 | 78 | 443.612 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.37 | 8.45 | -108.87 | 4 | 7 | 2 | 80 | 444.62 | 7 | ↓ |