In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 33 | 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) | 2.13 | 5.13 | -56.57 | 2 | 9 | 1 | 108 | 495.647 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 2.4 | -21.81 | 1 | 9 | 0 | 107 | 494.639 | 8 | ↓ |