In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | 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 | -4.41 | -62.15 | 4 | 6 | -1 | 124 | 254.243 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.27 | -3.97 | -116.66 | 3 | 6 | -2 | 127 | 253.235 | 1 | ↓ |