In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 14 | 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) | -0.13 | 5.11 | -36.74 | 3 | 3 | 0 | 68 | 193.246 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.13 | 4.78 | -43.61 | 2 | 3 | -1 | 66 | 192.238 | 3 | ↓ |