In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 22 | 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) | 4.42 | 8.73 | -46.94 | 2 | 3 | 1 | 35 | 298.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.42 | 7.31 | -5.43 | 1 | 3 | 0 | 30 | 297.398 | 4 | ↓ |