In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | 3.24 | 6.65 | -33.65 | 2 | 1 | 1 | 17 | 196.339 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.24 | 5.44 | -1.54 | 1 | 1 | 0 | 12 | 195.331 | 3 | ↓ |