In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 37 | 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) | 4.80 | 9.11 | -12.49 | 2 | 8 | 0 | 97 | 519.985 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 9.88 | -48.38 | 1 | 8 | -1 | 100 | 518.977 | 7 | ↓ |