In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 33 | 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) | 4.21 | 5.04 | -14.15 | 1 | 8 | 0 | 105 | 486.619 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 5.11 | -43.89 | 0 | 8 | -1 | 107 | 485.611 | 7 | ↓ |