In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 18 | 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) | 2.05 | 5.47 | -31.94 | 1 | 3 | 1 | 11 | 252.426 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 5.41 | -33.8 | 1 | 3 | 1 | 11 | 252.426 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 7.88 | -81.17 | 2 | 3 | 2 | 12 | 253.434 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 7.66 | -101.56 | 2 | 3 | 2 | 12 | 253.434 | 2 | ↓ |