In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 16 | No |
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) | 1.59 | 6.43 | -131.79 | 0 | 4 | -2 | 80 | 220.224 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 5.31 | -57.43 | 1 | 4 | -1 | 77 | 221.232 | 4 | ↓ |