In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | 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) | -0.31 | 1.81 | -42.15 | 3 | 3 | 1 | 40 | 207.297 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.31 | 1.51 | -3.61 | 2 | 3 | 0 | 38 | 206.289 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.31 | 3.72 | -36.61 | 3 | 3 | 1 | 40 | 207.297 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.31 | 4.02 | -123.85 | 4 | 3 | 2 | 41 | 208.305 | 2 | ↓ |