In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | 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) | 5.50 | 15.87 | -14.28 | 0 | 5 | 0 | 47 | 453.586 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.50 | 16.36 | -42.31 | 1 | 5 | 1 | 49 | 454.594 | 7 | ↓ |