In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 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) | 3.67 | 12.59 | -11.51 | 0 | 6 | 0 | 53 | 397.548 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 12.97 | -30.4 | 1 | 6 | 1 | 54 | 398.556 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 12.95 | -32.47 | 1 | 6 | 1 | 54 | 398.556 | 3 | ↓ |