In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 32 | 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) | 4.64 | 12.16 | -16.89 | 1 | 6 | 0 | 67 | 452.986 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.64 | 12.54 | -36.31 | 2 | 6 | 1 | 68 | 453.994 | 6 | ↓ |