In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 22 | 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) | 4.33 | 11.43 | -33.16 | 2 | 2 | 1 | 16 | 297.466 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.33 | 12.3 | -105.83 | 3 | 2 | 2 | 21 | 298.474 | 9 | ↓ |