In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2010 | 15 | 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) | -0.04 | 3.84 | -5.49 | 2 | 3 | 0 | 46 | 222.675 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.04 | 4.15 | -44.83 | 3 | 3 | 1 | 48 | 223.683 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.04 | 4.16 | -45.32 | 3 | 3 | 1 | 48 | 223.683 | 2 | ↓ |