In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 15 | 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) | 3.05 | 4.28 | -50.79 | 3 | 2 | 1 | 37 | 247.145 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 4.04 | -3.92 | 2 | 2 | 0 | 35 | 246.137 | 1 | ↓ |