In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 15 | Yes |
None
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) | 1.88 | 5.82 | -116.97 | 4 | 2 | 2 | 32 | 208.349 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 4.27 | -42.55 | 3 | 2 | 1 | 31 | 207.341 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 5.52 | -29.77 | 3 | 2 | 1 | 30 | 207.341 | 5 | ↓ |