In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 19 | Yes |
None
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) | 3.01 | 8.66 | -33.78 | 1 | 2 | 1 | 8 | 259.417 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 6.44 | -2.07 | 0 | 2 | 0 | 6 | 258.409 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 8.85 | -32.48 | 1 | 2 | 1 | 8 | 259.417 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.01 | 11.07 | -106.66 | 2 | 2 | 2 | 9 | 260.425 | 3 | ↓ |