In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 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) | 0.79 | 1.03 | -7.9 | 2 | 3 | 0 | 49 | 179.219 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 1.8 | -41.86 | 1 | 3 | -1 | 52 | 178.211 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.79 | 2.4 | -44.64 | 3 | 3 | 1 | 54 | 180.227 | 4 | ↓ |