In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 2009 | 23 | 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) | 3.03 | 7.21 | -42.21 | 2 | 5 | 1 | 46 | 338.859 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 4.91 | -10.63 | 1 | 5 | 0 | 45 | 337.851 | 4 | ↓ |