In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 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) | 1.97 | 4.35 | -12.04 | 1 | 3 | 0 | 47 | 190.198 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 5.36 | -53.81 | 0 | 3 | -1 | 49 | 189.19 | 3 | ↓ |