In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | 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) | 2.66 | 6.98 | -36.47 | 2 | 3 | 1 | 20 | 290.475 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.66 | 9.45 | -113.69 | 3 | 3 | 2 | 21 | 291.483 | 7 | ↓ |