In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2011 | 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) | 2.68 | 6.32 | -28.24 | 3 | 2 | 1 | 30 | 205.325 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 5.64 | -2.69 | 2 | 2 | 0 | 29 | 204.317 | 1 | ↓ |