In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 3rd, 2009 | 35 | 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) | 4.01 | 8.16 | -52.12 | 1 | 8 | -1 | 115 | 512.633 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 8.09 | -22.17 | 2 | 8 | 0 | 113 | 513.641 | 7 | ↓ |