In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2008 | 28 | 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) | -1.27 | -12.65 | -22.32 | 6 | 13 | 0 | 186 | 390.36 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.27 | -12.42 | -34.56 | 7 | 13 | 1 | 188 | 391.368 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.27 | -12.44 | -40.13 | 7 | 13 | 1 | 188 | 391.368 | 4 | ↓ |