In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 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) | 2.04 | 5.48 | -37.61 | 3 | 2 | 1 | 31 | 219.352 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.04 | 7.1 | -114.83 | 4 | 2 | 2 | 32 | 220.36 | 3 | ↓ |