In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 33 | 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) | 4.75 | 14.37 | -45.38 | 2 | 4 | 1 | 37 | 444.574 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.75 | 12.11 | -9.65 | 1 | 4 | 0 | 36 | 443.566 | 6 | ↓ |