In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 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) | 4.59 | 10.49 | -13.63 | 2 | 6 | 0 | 76 | 443.547 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 11.02 | -36.7 | 3 | 6 | 1 | 78 | 444.555 | 8 | ↓ |