In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 13 | 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) | 0.35 | 1.64 | -46.31 | 4 | 2 | 1 | 48 | 221.107 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.35 | 1.31 | -4.19 | 3 | 2 | 0 | 46 | 220.099 | 3 | ↓ |