In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 13 | 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) | -0.21 | 4.86 | -110.92 | 4 | 2 | 2 | 32 | 180.295 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.21 | 2.23 | -2.11 | 2 | 2 | 0 | 29 | 178.279 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.21 | 4.56 | -30.56 | 3 | 2 | 1 | 30 | 179.287 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.21 | 2.62 | -45.83 | 3 | 2 | 1 | 31 | 179.287 | 3 | ↓ |