In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2005 | 28 | 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) | 1.45 | -12.42 | -17.47 | 6 | 11 | 0 | 163 | 391.432 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.45 | -12.19 | -30.28 | 7 | 11 | 1 | 165 | 392.44 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.45 | -12.19 | -28.94 | 7 | 11 | 1 | 165 | 392.44 | 5 | ↓ |