In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 16 | No |
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) | 0.63 | 2.31 | -52.73 | 4 | 6 | 1 | 103 | 289.109 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.63 | 1.92 | -8.11 | 3 | 6 | 0 | 101 | 288.101 | 4 | ↓ |