In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 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) | 2.61 | 3.45 | -4.86 | 4 | 3 | 0 | 61 | 214.268 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 3.34 | -37.36 | 5 | 3 | 1 | 63 | 215.276 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 3.25 | -39.18 | 5 | 3 | 1 | 63 | 215.276 | 2 | ↓ |