In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2009 | 18 | 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) | 2.69 | 2.82 | -6.37 | 0 | 4 | 0 | 41 | 398.12 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 5.17 | -43.17 | 1 | 4 | 1 | 42 | 399.128 | 2 | ↓ |