In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 18 | 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) | 2.11 | 0.39 | -38.19 | 1 | 5 | -1 | 81 | 328.167 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 0.37 | -9.14 | 2 | 5 | 0 | 79 | 329.175 | 3 | ↓ |