In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2010 | 19 | 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) | 2.41 | 5.68 | -9.52 | 2 | 4 | 0 | 58 | 251.289 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.41 | 6.15 | -31.01 | 3 | 4 | 1 | 59 | 252.297 | 3 | ↓ |