In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 30 | 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) | 0.67 | 2.35 | -63.28 | 1 | 9 | -1 | 104 | 414.417 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.67 | 4.68 | -85.8 | 2 | 9 | 0 | 106 | 415.425 | 5 | ↓ |