In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 24 | 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) | 2.23 | 4.16 | -14.33 | 3 | 5 | 0 | 68 | 329.444 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 6.38 | -52.81 | 4 | 5 | 1 | 70 | 330.452 | 6 | ↓ |