In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2011 | 9 | 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) | 0.94 | 0.86 | -31.66 | 3 | 2 | 1 | 29 | 129.227 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 1.05 | -34.16 | 3 | 2 | 1 | 29 | 129.227 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 2.15 | -107.87 | 4 | 2 | 2 | 33 | 130.235 | 1 | ↓ |