In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 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) | 2.28 | 8.08 | -18.74 | 1 | 8 | 0 | 83 | 434.544 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 10.23 | -63.05 | 2 | 8 | 1 | 85 | 435.552 | 5 | ↓ |