In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2006 | 36 | 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) | 3.99 | -4.6 | -19.56 | 2 | 9 | 0 | 127 | 520.592 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.99 | -4.05 | -50.75 | 1 | 9 | -1 | 129 | 519.584 | 7 | ↓ |