In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 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) | 2.02 | 5.16 | -34.54 | 2 | 2 | 1 | 25 | 228.262 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 2.78 | -3.6 | 1 | 2 | 0 | 23 | 227.254 | 1 | ↓ |