In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 16 | 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) | 3.21 | 2.65 | -3.92 | 4 | 3 | 0 | 58 | 222.332 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.21 | 2.51 | -40.95 | 5 | 3 | 1 | 60 | 223.34 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.21 | 2.81 | -29.31 | 5 | 3 | 1 | 63 | 223.34 | 6 | ↓ |