In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2009 | 21 | 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) | 3.31 | 8.99 | -36.59 | 2 | 3 | 1 | 38 | 281.379 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 7.51 | -7.77 | 1 | 3 | 0 | 34 | 280.371 | 4 | ↓ |