In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 14 | 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) | -0.36 | 0.45 | -44.6 | 3 | 4 | 1 | 51 | 200.306 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.36 | 0.13 | -8.59 | 2 | 4 | 0 | 50 | 199.298 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.36 | 2.76 | -99.49 | 4 | 4 | 2 | 52 | 201.314 | 3 | ↓ |