In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 19 | 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) | 0.53 | 2.76 | -44.18 | 3 | 5 | 1 | 73 | 259.333 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.53 | 3.65 | -47.92 | 3 | 5 | 1 | 69 | 259.333 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.53 | 5.05 | -123.34 | 4 | 5 | 2 | 74 | 260.341 | 3 | ↓ |