In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2010 | 15 | 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) | 0.60 | 4.45 | -48.3 | 2 | 4 | 1 | 57 | 208.285 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 2.72 | -47.18 | 1 | 4 | 0 | 64 | 207.277 | 2 | ↓ |