In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 26 | 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) | 4.29 | 8.06 | -49.18 | 3 | 4 | 1 | 54 | 406.349 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.29 | 5.85 | -10.67 | 2 | 4 | 0 | 53 | 405.341 | 6 | ↓ |