In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 16 | 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) | 1.87 | 4.29 | -83.09 | 5 | 4 | 2 | 57 | 220.32 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 3.81 | -37.27 | 4 | 4 | 1 | 55 | 219.312 | 2 | ↓ |