In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 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) | -0.03 | 5.41 | -84.97 | 5 | 4 | 2 | 59 | 196.298 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.03 | 4.96 | -48.22 | 4 | 4 | 1 | 57 | 195.29 | 2 | ↓ |