In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 21 | Yes |
None
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) | 4.50 | 9.12 | -6.79 | 3 | 3 | 0 | 55 | 297.789 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.50 | 9.15 | -30.9 | 4 | 3 | 1 | 56 | 298.797 | 4 | ↓ |