In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 14 | 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) | -0.54 | 4.62 | -39.89 | 3 | 3 | 0 | 68 | 197.209 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.54 | 4.29 | -41.3 | 2 | 3 | -1 | 66 | 196.201 | 3 | ↓ |