In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 21 | 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) | 4.96 | 10.92 | -22.77 | 3 | 4 | 1 | 51 | 285.415 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.96 | 10.55 | -7.97 | 2 | 4 | 0 | 50 | 284.407 | 6 | ↓ |