In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2010 | 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) | 4.09 | 10.43 | -40.83 | 2 | 3 | 1 | 40 | 300.47 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 9.4 | -48.99 | 2 | 3 | 1 | 44 | 300.47 | 8 | ↓ |