In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2010 | 20 | 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) | 2.66 | 6.83 | -36.95 | 3 | 3 | 1 | 46 | 269.368 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 5.5 | -7.75 | 2 | 3 | 0 | 41 | 268.36 | 3 | ↓ |