In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2011 | 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) | 1.68 | 6.96 | -16.99 | 0 | 5 | 0 | 54 | 300.358 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 9.17 | -50.15 | 1 | 5 | 1 | 55 | 301.366 | 3 | ↓ |