In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2009 | 17 | 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) | 3.42 | 7.07 | -5.05 | 2 | 2 | 0 | 35 | 227.307 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 6.93 | -46.31 | 3 | 2 | 1 | 37 | 228.315 | 3 | ↓ |