In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2009 | 27 | 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) | -3.45 | 5.45 | -84.9 | 3 | 9 | -1 | 146 | 376.389 | 8 | ↓ |
Hi High (pH 8-9.5) | -3.45 | 4.45 | -127.57 | 2 | 9 | -2 | 142 | 375.381 | 8 | ↓ |