In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 26 | 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) | 2.80 | 13 | -22.24 | 1 | 6 | 0 | 72 | 349.369 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 13.33 | -42.71 | 2 | 6 | 1 | 74 | 350.377 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 12.67 | -98.43 | 4 | 6 | 2 | 82 | 351.385 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.32 | 11.65 | -34.64 | 2 | 6 | 1 | 77 | 350.377 | 3 | ↓ |