In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 10th, 2009 | 15 | 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) | 0.59 | 6.31 | -69.58 | 1 | 4 | -1 | 73 | 202.189 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 4.21 | -133.69 | 0 | 4 | -2 | 76 | 201.181 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 3.8 | -41.94 | 2 | 4 | 0 | 74 | 203.197 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | 5.48 | -27.67 | 2 | 4 | 0 | 76 | 203.197 | 1 | ↓ |