In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 33 | Yes |
None
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) | 5.08 | 9.48 | -13.55 | 2 | 7 | 0 | 88 | 449.551 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.08 | 10.25 | -52.8 | 1 | 7 | -1 | 91 | 448.543 | 10 | ↓ |