In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 14 | 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) | 3.58 | 8.01 | -30.9 | 1 | 2 | 1 | 14 | 202.362 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 5.48 | -1.86 | 0 | 2 | 0 | 12 | 201.354 | 10 | ↓ |