In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 33 | 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) | 2.51 | 12.39 | -17.07 | 1 | 9 | 0 | 103 | 438.495 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 10.6 | -43.77 | 0 | 9 | -1 | 110 | 437.487 | 5 | ↓ |