In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 16 | 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) | 1.36 | 4.1 | -95.05 | 4 | 3 | 2 | 36 | 227.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.36 | 2.74 | -39.78 | 3 | 3 | 1 | 32 | 226.388 | 5 | ↓ |