In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2008 | 28 | No |
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) | 4.16 | 9.31 | -58.05 | 1 | 7 | -1 | 104 | 417.85 | 6 | ↓ |
Ref Reference (pH 7) | 3.67 | 9.19 | -96.4 | 0 | 7 | -2 | 103 | 416.842 | 7 | ↓ |