In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 2009 | 20 | 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) | 1.12 | 1.17 | -15.86 | 3 | 6 | 0 | 94 | 293.348 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.12 | 1.24 | -45.41 | 2 | 6 | -1 | 96 | 292.34 | 4 | ↓ |