In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 31 | 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) | 4.80 | 13.63 | -17.01 | 0 | 5 | 0 | 47 | 437.971 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 14.14 | -43.7 | 1 | 5 | 1 | 49 | 438.979 | 7 | ↓ |