In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2009 | 18 | 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) | 3.02 | 9.36 | -39.92 | 1 | 3 | 1 | 37 | 245.346 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 7.27 | -5.29 | 0 | 3 | 0 | 36 | 244.338 | 7 | ↓ |