In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 33 | 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) | 4.49 | 10.36 | -17.88 | 1 | 6 | 0 | 61 | 440.547 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.49 | 11.01 | -33.48 | 2 | 6 | 1 | 62 | 441.555 | 6 | ↓ |