In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 15 | 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) | 2.04 | 4.98 | -45.41 | 0 | 4 | -1 | 77 | 200.173 | 0 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 4.21 | -17.19 | 1 | 4 | 0 | 74 | 201.181 | 0 | ↓ |