In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 11 | No |
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) | 0.89 | 3.46 | -31.7 | 3 | 3 | 1 | 43 | 172.277 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.89 | 1.11 | -4.89 | 2 | 3 | 0 | 42 | 171.269 | 3 | ↓ |