In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | 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) | 1.81 | 6.54 | -37.98 | 2 | 2 | 1 | 25 | 238.376 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 4.94 | -3.9 | 1 | 2 | 0 | 23 | 237.368 | 3 | ↓ |