In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2009 | 17 | 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) | -0.74 | 3.24 | -42.49 | 3 | 6 | 0 | 95 | 238.243 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.74 | 1.9 | -52.22 | 2 | 6 | -1 | 90 | 237.235 | 6 | ↓ |