In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 6th, 2006 | 31 | 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) | 3.02 | 1.14 | -15.36 | 4 | 8 | 0 | 116 | 420.469 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 2.92 | -24.27 | 4 | 8 | 0 | 116 | 420.469 | 6 | ↓ |