In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2008 | 16 | No |
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) | 1.60 | 7.49 | -18.29 | 0 | 6 | 0 | 77 | 236.256 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.60 | 8.03 | -97.58 | 2 | 6 | 2 | 79 | 238.272 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.60 | 7.63 | -42.05 | 1 | 6 | 1 | 78 | 237.264 | 3 | ↓ |