In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 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) | 1.22 | 3.3 | -17.48 | 3 | 5 | 0 | 85 | 212.212 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 2.17 | -43.37 | 2 | 5 | -1 | 88 | 211.204 | 0 | ↓ |