In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 14 | 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) | -0.12 | 2.48 | -93.03 | 5 | 4 | 2 | 69 | 192.266 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.12 | 2.52 | -35.8 | 4 | 4 | 1 | 67 | 191.258 | 2 | ↓ |