In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 16 | 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) | 0.34 | 1.18 | -42.73 | 2 | 4 | 1 | 38 | 227.328 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.34 | -0.19 | -3.61 | 1 | 4 | 0 | 34 | 226.32 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.34 | 1.93 | -31.88 | 2 | 4 | 1 | 35 | 227.328 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.34 | 3.3 | -101.89 | 3 | 4 | 2 | 40 | 228.336 | 2 | ↓ |