In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2010 | 28 | 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) | 3.53 | 10.74 | -46.32 | 2 | 5 | 1 | 53 | 397.861 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 8.44 | -13.78 | 1 | 5 | 0 | 52 | 396.853 | 4 | ↓ |