In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 13 | No |
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) | -0.24 | 5.5 | -50.27 | 1 | 4 | 0 | 62 | 185.223 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.24 | 3.81 | -43.83 | 0 | 4 | -1 | 60 | 184.215 | 3 | ↓ |