In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2009 | 29 | Yes |
None
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) | 3.59 | 9.17 | -55.98 | 3 | 5 | 1 | 63 | 428.862 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 6.85 | -13.97 | 2 | 5 | 0 | 61 | 427.854 | 9 | ↓ |