In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 31 | 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) | 4.38 | 12.54 | -13.64 | 1 | 6 | 0 | 63 | 441.576 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.38 | 12.65 | -32.38 | 2 | 6 | 0 | 64 | 442.584 | 9 | ↓ |