In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 16 | 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) | 0.54 | 4.28 | -100.28 | 4 | 4 | 2 | 48 | 222.336 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 4.69 | -185.31 | 5 | 4 | 3 | 49 | 223.344 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 1.97 | -46.73 | 3 | 4 | 1 | 47 | 221.328 | 3 | ↓ |