In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 17 | 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) | -0.27 | 5.63 | -31.89 | 3 | 4 | 0 | 77 | 237.299 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.27 | 5.27 | -41.43 | 2 | 4 | -1 | 75 | 236.291 | 7 | ↓ |