In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 17 | 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) | 3.36 | 7.21 | -45.27 | 3 | 3 | 1 | 48 | 243.415 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 6.81 | -7.46 | 2 | 3 | 0 | 46 | 242.407 | 11 | ↓ |