In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2005 | 27 | No |
None
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) | -4.00 | -7.29 | -55.45 | 4 | 11 | -1 | 176 | 397.413 | 7 | ↓ |
Lo Low (pH 4.5-6) | -4.00 | -7.15 | -75.01 | 5 | 11 | 0 | 177 | 398.421 | 7 | ↓ |
Lo Low (pH 4.5-6) | -4.00 | -7.16 | -83.28 | 5 | 11 | 0 | 177 | 398.421 | 7 | ↓ |