In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2006 | 26 | 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) | 3.89 | 11.58 | -36.1 | 1 | 3 | 1 | 31 | 360.562 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.89 | 9.03 | -5.28 | 0 | 3 | 0 | 30 | 359.554 | 4 | ↓ |