In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 19 | 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) | 2.67 | 8.92 | -32.78 | 2 | 2 | 1 | 16 | 257.401 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 7.75 | -42.43 | 2 | 2 | 1 | 20 | 257.401 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | 9.96 | -110.31 | 3 | 2 | 2 | 21 | 258.409 | 3 | ↓ |