In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 13 | 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) | -0.34 | 1.26 | -96.2 | 5 | 4 | 2 | 61 | 187.287 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.34 | 0.88 | -36.72 | 4 | 4 | 1 | 60 | 186.279 | 4 | ↓ |