In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2006 | 23 | 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) | 2.59 | -4.56 | -13.06 | 2 | 5 | 0 | 75 | 332.425 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.59 | -4.14 | -49.63 | 1 | 5 | -1 | 77 | 331.417 | 7 | ↓ |