In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 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) | -0.04 | 2.5 | -45.61 | 3 | 5 | 1 | 62 | 235.311 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.04 | 1.14 | -12.99 | 2 | 5 | 0 | 57 | 234.303 | 3 | ↓ |