In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2006 | 19 | 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) | 4.20 | -2.87 | -10.15 | 1 | 3 | 0 | 46 | 295.791 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.20 | -2.4 | -43.45 | 0 | 3 | -1 | 48 | 294.783 | 4 | ↓ |