In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 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) | 2.16 | 4.82 | -25.23 | 4 | 9 | 0 | 131 | 450.495 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.16 | 5.59 | -64.21 | 3 | 9 | -1 | 134 | 449.487 | 10 | ↓ |