In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 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) | 1.86 | 9.86 | -13.47 | 0 | 8 | 0 | 72 | 449.603 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 12.06 | -53.67 | 1 | 8 | 1 | 73 | 450.611 | 7 | ↓ |