In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 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) | 6.40 | 10.14 | -9.42 | 2 | 5 | 0 | 69 | 444.362 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.40 | 10.91 | -45.23 | 1 | 5 | -1 | 72 | 443.354 | 6 | ↓ |