In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | 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) | 2.61 | 4.92 | -7.51 | 0 | 4 | 0 | 39 | 289.375 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 7.1 | -35.15 | 1 | 4 | 1 | 40 | 290.383 | 4 | ↓ |