In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 22nd, 2006 | 26 | 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) | 3.01 | 7.46 | -19.79 | 1 | 7 | 0 | 80 | 396.9 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 7.3 | -47.26 | 0 | 7 | -1 | 79 | 395.892 | 5 | ↓ |