In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 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) | 3.19 | 9.18 | -35.51 | 1 | 2 | 1 | 8 | 328.249 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 7.29 | -3.06 | 0 | 2 | 0 | 6 | 327.241 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 8.86 | -32.01 | 1 | 2 | 1 | 8 | 328.249 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 10.74 | -105.39 | 2 | 2 | 2 | 9 | 329.257 | 2 | ↓ |