In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 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) | 4.04 | 9.76 | -12.15 | 2 | 5 | 0 | 69 | 445.588 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.04 | 11.78 | -50.27 | 3 | 5 | 1 | 70 | 446.596 | 7 | ↓ |