In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 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) | 4.11 | 6.54 | -13.82 | 3 | 7 | 0 | 99 | 441.487 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.11 | 7.31 | -54.45 | 2 | 7 | -1 | 102 | 440.479 | 7 | ↓ |