In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 2.56 | 3.58 | -48.42 | 3 | 2 | 1 | 41 | 245.249 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 3.18 | -4.26 | 2 | 2 | 0 | 39 | 244.241 | 2 | ↓ |