In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 25 | 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) | 2.49 | 8.13 | -22.23 | 1 | 7 | 0 | 90 | 377.495 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 6.43 | -61.76 | 0 | 7 | -1 | 96 | 376.487 | 5 | ↓ |