In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 16 | 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) | 0.97 | 5.73 | -46.14 | 3 | 3 | 1 | 45 | 222.356 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 5.43 | -4.14 | 2 | 3 | 0 | 44 | 221.348 | 4 | ↓ |