In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 36 | No |
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) | 2.31 | 6.5 | -62.74 | 0 | 9 | -1 | 101 | 495.552 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 8.76 | -79.59 | 1 | 9 | 0 | 102 | 496.56 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 8 | -62.41 | 2 | 9 | 1 | 99 | 497.568 | 10 | ↓ |