In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2006 | 25 | 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) | 4.68 | 10.16 | -56.06 | 2 | 3 | 1 | 38 | 369.794 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.68 | 8.77 | -10.07 | 1 | 3 | 0 | 34 | 368.786 | 6 | ↓ |