In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | 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) | 3.89 | 8.42 | -46.63 | 1 | 3 | -1 | 52 | 260.7 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.89 | 6.43 | -5.98 | 2 | 3 | 0 | 49 | 261.708 | 4 | ↓ |